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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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