5-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-pyridin-3-yl-1,2,4-triazol-4-ium-3-thione

Systemtic Name: 5-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-pyridin-3-yl-1,2,4-triazol-4-ium-3-thione Openeye Name: 5-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-(3-pyridyl)-1,2,4-triazol-4-ium-3-thione CAS Name: 5-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)-1-piperazinyl]-2-methyl-4-(3-pyridinyl)-1,2,4-triazol-4-ium-3-thione IUPAC Name: 5-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-pyridin-3-yl-1,2,4-triazol-4-ium-3-thione Traditional Name: 5-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)piperazino]-2-methyl-4-(3-pyridyl)-1,2,4-triazol-4-ium-3-thione Formula: C25H26ClN6OS+ MolecularWeight: 494.03154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)[N+](C(=N1)C2=CC=C(C=C2)Cl)(C3=CN=CC=C3)N4CCNCC4C5=CC=CC=C5OC

Isomeric SMILES

CN1C(=S)[N+](C(=N1)C2=CC=C(C=C2)Cl)(C3=CN=CC=C3)N4CCNCC4C5=CC=CC=C5OC

InChI

InChI=1S/C25H26ClN6OS/c1-30-25(34)32(20-6-5-13-27-16-20,24(29-30)18-9-11-19(26)12-10-18)31-15-14-28-17-22(31)21-7-3-4-8-23(21)33-2/h3-13,16,22,28H,14-15,17H2,1-2H3/q+1