2-[[3-(3,4-dimethylphenyl)-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[3-(3,4-dimethylphenyl)-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethanenitrile Openeye Name: 2-[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanylacetonitrile CAS Name: 2-[[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetonitrile Traditional Name: 2-[[3-(3,4-dimethylphenyl)-7-keto-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]acetonitrile Formula: C21H16N4OS3 MolecularWeight: 436.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4)SC2=S)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4)SC2=S)C

InChI

InChI=1S/C21H16N4OS3/c1-13-8-9-16(12-14(13)2)24-18-17(29-21(24)27)19(26)25(15-6-4-3-5-7-15)20(23-18)28-11-10-22/h3-9,12H,11H2,1-2H3