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

Systemtic Name: (2R)-3-(4-methylphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanenitrile Openeye Name: (2R)-2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2R)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C25H21N3OS/c1-18-11-13-19(14-12-18)15-21(16-26)30-25-27-23-10-6-5-9-22(23)24(29)28(25)17-20-7-3-2-4-8-20/h2-14,21H,15,17H2,1H3/t21-/m1/s1