5-methylsulfanyl-2-nitro-N-(1-oxidanylbutan-2-yl)benzamide

Systemtic Name: 5-methylsulfanyl-2-nitro-N-(1-oxidanylbutan-2-yl)benzamide Openeye Name: N-[1-(hydroxymethyl)propyl]-5-methylsulfanyl-2-nitro-benzamide CAS Name: N-(1-hydroxybutan-2-yl)-5-(methylthio)-2-nitrobenzamide IUPAC Name: N-(1-hydroxybutan-2-yl)-5-methylsulfanyl-2-nitrobenzamide Traditional Name: N-(1-methylolpropyl)-5-(methylthio)-2-nitro-benzamide Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=O)C1=C(C=CC(=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CCC(CO)NC(=O)C1=C(C=CC(=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4S/c1-3-8(7-15)13-12(16)10-6-9(19-2)4-5-11(10)14(17)18/h4-6,8,15H,3,7H2,1-2H3,(H,13,16)