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

Systemtic Name: 3,4,5-trimethoxy-2-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Openeye Name: 3,4,5-trimethoxy-2-nitro-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzamide CAS Name: 3,4,5-trimethoxy-2-nitro-N-[4-(3-pyridinylmethylthio)phenyl]benzamide IUPAC Name: 3,4,5-trimethoxy-2-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Traditional Name: 3,4,5-trimethoxy-2-nitro-N-[4-(3-pyridylmethylthio)phenyl]benzamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H21N3O6S/c1-29-18-11-17(19(25(27)28)21(31-3)20(18)30-2)22(26)24-15-6-8-16(9-7-15)32-13-14-5-4-10-23-12-14/h4-12H,13H2,1-3H3,(H,24,26)