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

Systemtic Name: (2R)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C23H23N3OS/c1-16-10-12-17(13-11-16)14-19(15-24)28-23-25-21-9-5-4-8-20(21)22(27)26(23)18-6-2-3-7-18/h4-5,8-13,18-19H,2-3,6-7,14H2,1H3/t19-/m1/s1