2-[(2-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide CAS Name: 2-[(2-fluorophenyl)methylthio]-7-(4-methoxyphenyl)-5-methyl-N-(3-pyridinyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Traditional Name: 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Formula: C26H24FN6O2S+ MolecularWeight: 503.571163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([N+]2=C(N1)N=C(N2)SCC3=CC=CC=C3F)C4=CC=C(C=C4)OC)C(=O)NC5=CN=CC=C5

Isomeric SMILES

CC1=C(C([N+]2=C(N1)N=C(N2)SCC3=CC=CC=C3F)C4=CC=C(C=C4)OC)C(=O)NC5=CN=CC=C5

InChI

InChI=1S/C26H23FN6O2S/c1-16-22(24(34)30-19-7-5-13-28-14-19)23(17-9-11-20(35-2)12-10-17)33-25(29-16)31-26(32-33)36-15-18-6-3-4-8-21(18)27/h3-14,23H,15H2,1-2H3,(H2,29,30,31,32,34)/p+1