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

Systemtic Name: (2R)-3-(4-methylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanenitrile Openeye Name: (2R)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanenitrile Traditional Name: (2R)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C21H19N3OS MolecularWeight: 361.46006

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3OS/c1-3-12-24-20(25)18-6-4-5-7-19(18)23-21(24)26-17(14-22)13-16-10-8-15(2)9-11-16/h3-11,17H,1,12-13H2,2H3/t17-/m1/s1