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

Systemtic Name: 4-(methylamino)-3-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Openeye Name: 4-(methylamino)-3-nitro-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzamide CAS Name: 4-(methylamino)-3-nitro-N-[4-(3-pyridinylmethylthio)phenyl]benzamide IUPAC Name: 4-(methylamino)-3-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Traditional Name: 4-(methylamino)-3-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)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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