2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-7-(4-nitrophenyl)-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]-5-methyl-7-(4-nitrophenyl)-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]-5-methyl-7-(4-nitrophenyl)-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]-5-methyl-7-(4-nitrophenyl)-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]-5-methyl-7-(4-nitrophenyl)-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]-5-methyl-7-(4-nitrophenyl)-N-(3-pyridyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Formula: C25H21FN7O3S+ MolecularWeight: 518.542743

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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)[N+](=O)[O-])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)[N+](=O)[O-])C(=O)NC5=CN=CC=C5

InChI

InChI=1S/C25H20FN7O3S/c1-15-21(23(34)29-18-6-4-12-27-13-18)22(16-8-10-19(11-9-16)33(35)36)32-24(28-15)30-25(31-32)37-14-17-5-2-3-7-20(17)26/h2-13,22H,14H2,1H3,(H2,28,29,30,31,34)/p+1