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(Q76423372)
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English
S-(1,3-benzothiazol-2-yl) (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoethanethioate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
350.991837528
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₉N₅O₂S₃
0 references
canonical SMILES
CO/N=C(\C(=O)Sc1nc2ccccc2s1)c1nc(=N)s[nH]1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CO/N=C(/C1=NSC(=N1)N)\C(=O)SC2=NC3=CC=CC=C3S2
0 references
Identifiers
InChI
InChI=1S/C12H9N5O2S3/c1-19-16-8(9-15-11(13)22-17-9)10(18)21-12-14-6-4-2-3-5-7(6)20-12/h2-5H,1H3,(H2,13,15,17)/b16-8-
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InChIKey
XJESSAAEFWMELV-PXNMLYILSA-N
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CAS Registry Number
89604-91-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
13826586
0 references
UniChem compound ID
16614372
1 reference
stated in
UniChem
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