4-[(7-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(7-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-allyl-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-6-yl)methyl]benzonitrile CAS Name: 4-[(7-oxo-3-prop-2-enyl-2-sulfanylidene-6-thiazolo[4,5-d]pyrimidinyl)methyl]benzonitrile IUPAC Name: 4-[(7-oxo-3-prop-2-enyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)methyl]benzonitrile Traditional Name: 4-[(3-allyl-7-keto-2-thioxo-thiazolo[4,5-d]pyrimidin-6-yl)methyl]benzonitrile Formula: C16H12N4OS2 MolecularWeight: 340.42268

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=O)N(C=N2)CC3=CC=C(C=C3)C#N)SC1=S

Isomeric SMILES

C=CCN1C2=C(C(=O)N(C=N2)CC3=CC=C(C=C3)C#N)SC1=S

InChI

InChI=1S/C16H12N4OS2/c1-2-7-20-14-13(23-16(20)22)15(21)19(10-18-14)9-12-5-3-11(8-17)4-6-12/h2-6,10H,1,7,9H2