2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-(p-tolyl)benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-(4-methylphenyl)-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-(p-tolyl)benzamide Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H15ClN2O3S/c1-13-2-6-15(7-3-13)22-20(24)18-12-16(23(25)26)8-11-19(18)27-17-9-4-14(21)5-10-17/h2-12H,1H3,(H,22,24)