2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[(4-chlorobenzyl)thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN2O3S/c1-15-7-12-19(20(13-15)25(27)28)24-22(26)21(17-5-3-2-4-6-17)29-14-16-8-10-18(23)11-9-16/h2-13,21H,14H2,1H3,(H,24,26)