(Q27123618)

GNF-Pf-2304 (English)

6 October 2016

chemical formula

C₂₁H₂₁N₂S₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC

1 reference

GNF-Pf-2304 (English)

6 October 2016

isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC

1 reference

GNF-Pf-2304 (English)

InChI=1S/C21H21N2S2/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21/h5-15H,3-4H2,1-2H3/q+1

6 October 2016

different from

dithiazanine

0 references

Identifiers

InChI

1 reference

GNF-Pf-2304 (English)

JGLWGLKNDHZFAP-UHFFFAOYSA-N

6 October 2016

InChIKey

2 references

GNF-Pf-2304 (English)

reason for deprecated rank

6 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

7187-55-5

cannot be confirmed by other sources

1 reference

C3-thiacarbocyanine cation (English)

6 October 2016

0 references

1 reference

3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl)benzothiazolium (English)

6 October 2016

1 reference

GNF-Pf-2304 (English)

6 October 2016

ChEBI ID

52806

mapping relation type

1 reference

C3-thiacarbocyanine cation (English)

6 October 2016

1 reference