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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-(cyanomethylthio)-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N-(3-chlorobenzyl)-2-(cyanomethylthio)-4-keto-3-phenyl-quinazoline-7-carboxamide Formula: C24H17ClN4O2S MolecularWeight: 460.93538

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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)NCC4=CC(=CC=C4)Cl)N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC#N

InChI

InChI=1S/C24H17ClN4O2S/c25-18-6-4-5-16(13-18)15-27-22(30)17-9-10-20-21(14-17)28-24(32-12-11-26)29(23(20)31)19-7-2-1-3-8-19/h1-10,13-14H,12,15H2,(H,27,30)