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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O3S/c1-2-14-5-3-4-6-19(14)23-21(25)18-13-16(24(26)27)9-12-20(18)28-17-10-7-15(22)8-11-17/h3-13H,2H2,1H3,(H,23,25)