(2R)-3-(4-methylphenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanenitrile

Systemtic Name: (2R)-3-(4-methylphenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanenitrile Openeye Name: (2R)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: (2R)-2-[(3-isobutyl-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:

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C22H23N3OS/c1-15(2)14-25-21(26)19-6-4-5-7-20(19)24-22(25)27-18(13-23)12-17-10-8-16(3)9-11-17/h4-11,15,18H,12,14H2,1-3H3/t18-/m1/s1