4-methylsulfanyl-3-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide CAS Name: 4-(methylthio)-3-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide Traditional Name: 4-(methylthio)-3-nitro-N-(2,4,5-trimethoxybenzyl)benzamide Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H20N2O6S/c1-24-14-9-16(26-3)15(25-2)8-12(14)10-19-18(21)11-5-6-17(27-4)13(7-11)20(22)23/h5-9H,10H2,1-4H3,(H,19,21)