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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

InChI

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