2-(4-chlorophenyl)sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]propanamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(2-hydroxy-5-nitro-benzyl)propionamide Formula: C16H15ClN2O4S MolecularWeight: 366.8193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClN2O4S/c1-10(24-14-5-2-12(17)3-6-14)16(21)18-9-11-8-13(19(22)23)4-7-15(11)20/h2-8,10,20H,9H2,1H3,(H,18,21)