N-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]benzamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]benzamide Openeye Name: N-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]benzamide CAS Name: N-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]benzamide IUPAC Name: N-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]benzamide Traditional Name: N-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]benzamide Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C17H12N4O2S/c18-10-11-24-17-19-14-9-5-4-8-13(14)16(23)21(17)20-15(22)12-6-2-1-3-7-12/h1-9H,11H2,(H,20,22)