N-(3-chlorophenyl)-2-(cyanomethylsulfanyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide

Systemtic Name: N-(3-chlorophenyl)-2-(cyanomethylsulfanyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-2-(cyanomethylsulfanyl)-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-2-(cyanomethylthio)-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-2-(cyanomethylsulfanyl)-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N-(3-chlorophenyl)-2-(cyanomethylthio)-4-keto-3-phenyl-quinazoline-7-carboxamide Formula: C23H15ClN4O2S MolecularWeight: 446.9088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC#N

InChI

InChI=1S/C23H15ClN4O2S/c24-16-5-4-6-17(14-16)26-21(29)15-9-10-19-20(13-15)27-23(31-12-11-25)28(22(19)30)18-7-2-1-3-8-18/h1-10,13-14H,12H2,(H,26,29)