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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(CC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1S[C@H](CC3=CC=C(C=C3)C)C#N

InChI

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