2-(2-methylphenyl)sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-(o-tolylthio)acetamide Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H16N2O4S/c1-11-4-2-3-5-15(11)23-10-16(20)17-9-12-8-13(18(21)22)6-7-14(12)19/h2-8,19H,9-10H2,1H3,(H,17,20)