3-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N3OS/c1-2-3-11-23-19(24)17-9-4-5-10-18(17)22-20(23)25-14-16-8-6-7-15(12-16)13-21/h4-10,12H,2-3,11,14H2,1H3