4-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]butyronitrile Formula: C19H17N3OS MolecularWeight: 335.42278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

InChI

InChI=1S/C19H17N3OS/c1-14-8-2-5-11-17(14)22-18(23)15-9-3-4-10-16(15)21-19(22)24-13-7-6-12-20/h2-5,8-11H,6-7,13H2,1H3