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

Systemtic Name: 4-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylbutanenitrile CAS Name: 4-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]butyronitrile Formula: C16H19N3OS MolecularWeight: 301.40656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCCCC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCCCC#N

InChI

InChI=1S/C16H19N3OS/c1-12(2)11-19-15(20)13-7-3-4-8-14(13)18-16(19)21-10-6-5-9-17/h3-4,7-8,12H,5-6,10-11H2,1-2H3