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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(2-methylphenyl)-3-nitro-benzamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-3-nitro-N-(o-tolyl)benzamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(2-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(2-methylphenyl)-3-nitrobenzamide Traditional Name: 4-[(4-chlorophenyl)thio]-3-nitro-N-(o-tolyl)benzamide Formula: C20H15ClN2O3S MolecularWeight: 398.8627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

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