2-(methylamino)-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

Systemtic Name: 2-(methylamino)-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Openeye Name: 2-(methylamino)-5-nitro-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzamide CAS Name: 2-(methylamino)-5-nitro-N-[4-(3-pyridinylmethylthio)phenyl]benzamide IUPAC Name: 2-(methylamino)-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Traditional Name: 2-(methylamino)-5-nitro-N-[4-(3-pyridylmethylthio)phenyl]benzamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C20H18N4O3S/c1-21-19-9-6-16(24(26)27)11-18(19)20(25)23-15-4-7-17(8-5-15)28-13-14-3-2-10-22-12-14/h2-12,21H,13H2,1H3,(H,23,25)