(Q7863562)

English

U0126

chemical compound

(2Z,3Z)-bis[amino(sulfanyl)methylidene]butanedinitrile
U-0126
U 0126

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Statements

instance of

type of chemical entity

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subclass of

2,3-bis[amino-[(2-aminophenyl)thio]methylidene]butanedinitrile

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image of molecular model or crystal lattice model

U0126-3D-spacefill.png
2,000 × 1,190; 558 KB

depicts

space-filling model

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mass

380.08778651200004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₁₆N₆S₂

1 reference

stated in

PubChem

canonical SMILES

c1ccc(c(c1)N)SC(=C(C#N)C(=C(N)Sc2ccccc2N)C#N)N

1 reference

stated in

RCSB protein data bank

PDB ligand ID

5BM

language of work or name

English

retrieved

16 February 2021

isomeric SMILES

Nc1ccccc1S\C(N)=C(C#N)\C(C#N)=C(/N)Sc1ccccc1N

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Commons category

U0126

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Identifiers

InChI

InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+

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InChIKey

DVEXZJFMOKTQEZ-JYFOCSDGSA-N

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stated in

ChEBI release 2020-09-01

2 references

DVEXZJFMOKTQEZ-JYFOCSDGSA-N

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=218601-62-8

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1 reference

matched by identifier from

InChIKey

DVEXZJFMOKTQEZ-JYFOCSDGSA-N

ChEBI ID

90693

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+

ChEMBL ID

CHEMBL34704

1 reference

imported from Wikimedia project

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inferred from InChIKey

matched by identifier from

InChIKey

DVEXZJFMOKTQEZ-JYFOCSDGSA-N

SCHEMBL247170

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DVEXZJFMOKTQEZ-JYFOCSDGSA-N

1 reference

1 reference

matched by identifier from

InChIKey

DVEXZJFMOKTQEZ-JYFOCSDGSA-N

Guide to Pharmacology Ligand ID

5282

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

retrieved

5 February 2021

DrugBank ID

DB17060

1 reference

matched by identifier from

InChIKey

DVEXZJFMOKTQEZ-JYFOCSDGSA-N

UNII

8027P94HLL

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matched by identifier from

InChIKey

DVEXZJFMOKTQEZ-JYFOCSDGSA-N

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Sitelinks

Wikipedia(4 entries)

dewiki U0126
enwiki U0126
fawiki U0126
jawiki U0126

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(1 entry)

commonswiki Category:U0126