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

Systemtic Name: 4-[3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]butyronitrile Formula: C19H17N3O2S MolecularWeight: 351.42218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

InChI

InChI=1S/C19H17N3O2S/c1-24-17-11-5-4-10-16(17)22-18(23)14-8-2-3-9-15(14)21-19(22)25-13-7-6-12-20/h2-5,8-11H,6-7,13H2,1H3