4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

Systemtic Name: 4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Openeye Name: 4-(difluoromethoxy)-5-methoxy-2-nitro-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzamide CAS Name: 4-(difluoromethoxy)-5-methoxy-2-nitro-N-[4-(3-pyridinylmethylthio)phenyl]benzamide IUPAC Name: 4-(difluoromethoxy)-5-methoxy-2-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Traditional Name: 4-(difluoromethoxy)-5-methoxy-2-nitro-N-[4-(3-pyridylmethylthio)phenyl]benzamide Formula: C21H17F2N3O5S MolecularWeight: 461.438586

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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(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H17F2N3O5S/c1-30-18-9-16(17(26(28)29)10-19(18)31-21(22)23)20(27)25-14-4-6-15(7-5-14)32-12-13-3-2-8-24-11-13/h2-11,21H,12H2,1H3,(H,25,27)