3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CCC3=NNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CCC3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C21H25N5OS/c1-27-19-10-6-5-9-18(19)25-15-13-24(14-16-25)12-11-20-22-23-21(28)26(20)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,28)/p+1