(2R)-3-(4-methylphenyl)-2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanenitrile

Systemtic Name: (2R)-3-(4-methylphenyl)-2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanenitrile Openeye Name: (2R)-2-(4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[(4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile Traditional Name: (2R)-2-[(4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C22H17N3OS2 MolecularWeight: 403.51988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C22H17N3OS2/c1-15-7-9-16(10-8-15)13-18(14-23)28-22-24-20-19(11-12-27-20)21(26)25(22)17-5-3-2-4-6-17/h2-12,18H,13H2,1H3/t18-/m1/s1