3-(methylsulfanylmethyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-(methylsulfanylmethyl)benzamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-[(methylthio)methyl]benzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(methylsulfanylmethyl)benzamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-3-[(methylthio)methyl]benzamide Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

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