4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methoxy-5-nitro-phenyl)benzamide

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methoxy-5-nitro-phenyl)benzamide Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methoxy-5-nitro-phenyl)benzamide CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-N-(2-methoxy-5-nitrophenyl)benzamide IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methoxy-5-nitrophenyl)benzamide Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-N-(2-methoxy-5-nitro-phenyl)benzamide Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O4S/c1-28-20-11-8-17(24(26)27)12-19(20)23-21(25)15-4-2-14(3-5-15)13-29-18-9-6-16(22)7-10-18/h2-12H,13H2,1H3,(H,23,25)