N-(4-methylphenyl)-4-nitro-2-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-(4-methylphenyl)-4-nitro-2-(phenylmethylsulfanyl)benzamide Openeye Name: 2-benzylsulfanyl-4-nitro-N-(p-tolyl)benzamide CAS Name: N-(4-methylphenyl)-4-nitro-2-(phenylmethylthio)benzamide IUPAC Name: 2-benzylsulfanyl-N-(4-methylphenyl)-4-nitrobenzamide Traditional Name: 2-(benzylthio)-4-nitro-N-(p-tolyl)benzamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S/c1-15-7-9-17(10-8-15)22-21(24)19-12-11-18(23(25)26)13-20(19)27-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,24)