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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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