N-(2-methyl-5-nitro-phenyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-(benzylthio)-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O3S/c1-13-7-8-15(19(21)22)11-16(13)18-17(20)9-10-23-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,20)