2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-(3,5-dimethylphenyl)-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(3,5-dimethylphenyl)-5-nitro-benzamide Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O3S/c1-13-9-14(2)11-16(10-13)23-21(25)19-12-17(24(26)27)5-8-20(19)28-18-6-3-15(22)4-7-18/h3-12H,1-2H3,(H,23,25)