4-[[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C24H19N3O2S MolecularWeight: 413.49156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H19N3O2S/c1-16-7-12-22(29-2)21(13-16)27-23(28)19-5-3-4-6-20(19)26-24(27)30-15-18-10-8-17(14-25)9-11-18/h3-13H,15H2,1-2H3