N-(2-methylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(2-methylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: 3-nitro-N-(o-tolyl)-4-(p-tolylsulfanyl)benzamide CAS Name: N-(2-methylphenyl)-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-(2-methylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: 3-nitro-N-(o-tolyl)-4-(p-tolylthio)benzamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O3S/c1-14-7-10-17(11-8-14)27-20-12-9-16(13-19(20)23(25)26)21(24)22-18-6-4-3-5-15(18)2/h3-13H,1-2H3,(H,22,24)