2-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(4-chlorophenyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C16H12ClN3OS2 MolecularWeight: 361.86898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C16H12ClN3OS2/c1-9-10(2)23-14-13(9)15(21)20(16(19-14)22-8-7-18)12-5-3-11(17)4-6-12/h3-6H,8H2,1-2H3