4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methyl-3-nitro-phenyl)benzamide

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methyl-3-nitro-phenyl)benzamide Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methyl-3-nitro-phenyl)benzamide CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-N-(2-methyl-3-nitrophenyl)benzamide IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methyl-3-nitrophenyl)benzamide Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-N-(2-methyl-3-nitro-phenyl)benzamide Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O3S/c1-14-19(3-2-4-20(14)24(26)27)23-21(25)16-7-5-15(6-8-16)13-28-18-11-9-17(22)10-12-18/h2-12H,13H2,1H3,(H,23,25)