4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]-1-oxido-pyridin-1-ium CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-(trifluoromethyl)phenyl]-1-oxidopyridin-1-ium IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-(trifluoromethyl)phenyl]-1-oxidopyridin-1-ium Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-(trifluoromethyl)phenyl]-1-oxido-pyridin-1-ium Formula: C20H14F3NO3S MolecularWeight: 405.39027

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SC3=C(C=C(C=C3)C4=CC=[N+](C=C4)[O-])C(F)(F)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SC3=C(C=C(C=C3)C4=CC=[N+](C=C4)[O-])C(F)(F)F

InChI

InChI=1S/C20H14F3NO3S/c21-20(22,23)16-11-14(13-5-7-24(25)8-6-13)1-4-19(16)28-15-2-3-17-18(12-15)27-10-9-26-17/h1-8,11-12H,9-10H2