(2R)-3-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile Openeye Name: (2R)-3-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile CAS Name: (2R)-3-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-2-methylpropanenitrile IUPAC Name: (2R)-3-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-methylpropanenitrile Traditional Name: (2R)-3-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-2-methyl-propionitrile Formula: C20H19N3OS MolecularWeight: 349.44936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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