2-[(7-oxidanylidene-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(7-oxidanylidene-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(7-oxo-3-phenyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetonitrile CAS Name: 2-[(7-oxo-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-5-yl)thio]acetonitrile IUPAC Name: 2-[(7-oxo-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetonitrile Traditional Name: 2-[(7-keto-3-phenyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-5-yl)thio]acetonitrile Formula: C13H8N4OS3 MolecularWeight: 332.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=O)N=C(N3)SCC#N)SC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=O)N=C(N3)SCC#N)SC2=S

InChI

InChI=1S/C13H8N4OS3/c14-6-7-20-12-15-10-9(11(18)16-12)21-13(19)17(10)8-4-2-1-3-5-8/h1-5H,7H2,(H,15,16,18)