(2R)-3-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile Openeye Name: (2R)-3-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile CAS Name: (2R)-3-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-2-methylpropanenitrile IUPAC Name: (2R)-3-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-methylpropanenitrile Traditional Name: (2R)-3-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-2-methyl-propionitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H](C)C#N)C

InChI

InChI=1S/C20H19N3OS/c1-13(11-21)12-25-20-22-18-7-5-4-6-17(18)19(24)23(20)16-9-8-14(2)15(3)10-16/h4-10,13H,12H2,1-3H3/t13-/m1/s1