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

Systemtic Name: 4-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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