N-(2-methoxy-5-nitro-phenyl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-(benzylthio)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O4S/c1-12(24-11-13-6-4-3-5-7-13)17(20)18-15-10-14(19(21)22)8-9-16(15)23-2/h3-10,12H,11H2,1-2H3,(H,18,20)