N-methyl-2-[2-nitro-5-(phenylmethylsulfanyl)phenyl]ethanamide

Systemtic Name: N-methyl-2-[2-nitro-5-(phenylmethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(5-benzylsulfanyl-2-nitro-phenyl)-N-methyl-acetamide CAS Name: N-methyl-2-[2-nitro-5-(phenylmethylthio)phenyl]acetamide IUPAC Name: 2-(5-benzylsulfanyl-2-nitrophenyl)-N-methylacetamide Traditional Name: 2-[5-(benzylthio)-2-nitro-phenyl]-N-methyl-acetamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=C(C=CC(=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)CC1=C(C=CC(=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-17-16(19)10-13-9-14(7-8-15(13)18(20)21)22-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,17,19)