2-[2-methyl-3-(2-methylprop-1-enylsulfanyl)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole

Systemtic Name: 2-[2-methyl-3-(2-methylprop-1-enylsulfanyl)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole Openeye Name: 2-[2-methyl-3-(2-methylprop-1-enylsulfanyl)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole CAS Name: 2-[2-methyl-3-(2-methylprop-1-enylthio)-5-(trifluoromethyl)-1-pyridin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[2-methyl-3-(2-methylprop-1-enylsulfanyl)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole Traditional Name: 2-[2-methyl-3-(2-methylprop-1-enylthio)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole Formula: C18H17F3N3S+ MolecularWeight: 364.40789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=[N+]1C2=NC3=CC=CC=C3N2)C(F)(F)F)SC=C(C)C

Isomeric SMILES

CC1=C(C=C(C=[N+]1C2=NC3=CC=CC=C3N2)C(F)(F)F)SC=C(C)C

InChI

InChI=1S/C18H17F3N3S/c1-11(2)10-25-16-8-13(18(19,20)21)9-24(12(16)3)17-22-14-6-4-5-7-15(14)23-17/h4-10H,1-3H3,(H,22,23)/q+1