1-methyl-3-phenyl-4-(phenylmethylsulfanyl)-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium

Systemtic Name: 1-methyl-3-phenyl-4-(phenylmethylsulfanyl)-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium Openeye Name: 4-benzylsulfanyl-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium CAS Name: 1-methyl-3-phenyl-4-(phenylmethylthio)-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium IUPAC Name: 4-benzylsulfanyl-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium Traditional Name: 4-(benzylthio)-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium Formula: C26H21F3NS+ MolecularWeight: 436.51185

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C(=C1)C2=CC=CC=C2)SCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C[N+]1=CC(=C(C(=C1)C2=CC=CC=C2)SCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C26H21F3NS/c1-30-16-23(20-11-6-3-7-12-20)25(31-18-19-9-4-2-5-10-19)24(17-30)21-13-8-14-22(15-21)26(27,28)29/h2-17H,18H2,1H3/q+1