(2R)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile

Systemtic Name: (2R)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

InChI

InChI=1S/C21H20ClN3OS/c1-13(2)25-20(26)18-9-8-16(22)11-19(18)24-21(25)27-17(12-23)10-15-6-4-14(3)5-7-15/h4-9,11,13,17H,10H2,1-3H3/t17-/m1/s1