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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

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