(2R)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile

Systemtic Name: (2R)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H19N3OS/c1-14-6-8-15(9-7-14)12-17(13-22)26-21-23-19-5-3-2-4-18(19)20(25)24(21)16-10-11-16/h2-9,16-17H,10-12H2,1H3/t17-/m1/s1