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

Systemtic Name: 2-[(6-cyclohexyl-7-oxidanylidene-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]ethanenitrile Openeye Name: 2-(6-cyclohexyl-7-oxo-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl)sulfanylacetonitrile CAS Name: 2-[(6-cyclohexyl-7-oxo-3-phenethyl-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-[(6-cyclohexyl-7-oxo-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetonitrile Traditional Name: 2-[(6-cyclohexyl-7-keto-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl)thio]acetonitrile Formula: C21H22N4OS3 MolecularWeight: 442.62058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(N=C2SCC#N)N(C(=S)S3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(N=C2SCC#N)N(C(=S)S3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS3/c22-12-14-28-20-23-18-17(19(26)25(20)16-9-5-2-6-10-16)29-21(27)24(18)13-11-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-11,13-14H2