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

Systemtic Name: (2R)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(CC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](CC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C22H23N3OS/c1-3-4-13-25-21(26)19-7-5-6-8-20(19)24-22(25)27-18(15-23)14-17-11-9-16(2)10-12-17/h5-12,18H,3-4,13-14H2,1-2H3/t18-/m1/s1