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

Systemtic Name: (2R)-3-(4-methylphenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanenitrile Openeye Name: (2R)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanenitrile Traditional Name: (2R)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-14(2)24-20(25)18-6-4-5-7-19(18)23-21(24)26-17(13-22)12-16-10-8-15(3)9-11-16/h4-11,14,17H,12H2,1-3H3/t17-/m1/s1