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

Systemtic Name: 2-(dimethylamino)-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Openeye Name: 2-(dimethylamino)-5-nitro-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzamide CAS Name: 2-(dimethylamino)-5-nitro-N-[4-(3-pyridinylmethylthio)phenyl]benzamide IUPAC Name: 2-(dimethylamino)-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Traditional Name: 2-(dimethylamino)-5-nitro-N-[4-(3-pyridylmethylthio)phenyl]benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-24(2)20-10-7-17(25(27)28)12-19(20)21(26)23-16-5-8-18(9-6-16)29-14-15-4-3-11-22-13-15/h3-13H,14H2,1-2H3,(H,23,26)