2-(cyanomethylsulfanyl)-N-(4-methyl-3-nitro-phenyl)benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(4-methyl-3-nitro-phenyl)benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(4-methyl-3-nitro-phenyl)benzamide CAS Name: 2-(cyanomethylthio)-N-(4-methyl-3-nitrophenyl)benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(4-methyl-3-nitrophenyl)benzamide Traditional Name: 2-(cyanomethylthio)-N-(4-methyl-3-nitro-phenyl)benzamide Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c1-11-6-7-12(10-14(11)19(21)22)18-16(20)13-4-2-3-5-15(13)23-9-8-17/h2-7,10H,9H2,1H3,(H,18,20)