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

Systemtic Name: 2-[2-(2-chlorophenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[2-(2-chlorophenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[2-(2-chlorophenyl)-5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[2-(2-chlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[2-(2-chlorophenyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C16H12ClN3OS MolecularWeight: 329.80398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C3=CC=CC=C3Cl)CC#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C3=CC=CC=C3Cl)CC#N)C

InChI

InChI=1S/C16H12ClN3OS/c1-9-10(2)22-15-13(9)16(21)20(8-7-18)14(19-15)11-5-3-4-6-12(11)17/h3-6H,8H2,1-2H3