(2R)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile

Systemtic Name: (2R)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C23H19N3OS MolecularWeight: 385.48146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C23H19N3OS/c1-15-7-9-16(10-8-15)11-19(14-24)28-23-25-21-13-18-6-4-3-5-17(18)12-20(21)22(27)26(23)2/h3-10,12-13,19H,11H2,1-2H3/t19-/m1/s1