4-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[7-chloro-3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[7-chloro-4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]butyronitrile Formula: C20H18ClN3O2S MolecularWeight: 399.89382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCCC#N

InChI

InChI=1S/C20H18ClN3O2S/c1-13-5-8-18(26-2)17(11-13)24-19(25)15-7-6-14(21)12-16(15)23-20(24)27-10-4-3-9-22/h5-8,11-12H,3-4,10H2,1-2H3