2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(o-tolyl)-1,2,4-triazole-3-thione Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C22H27N5OS/c1-17-8-4-5-9-19(17)27-18(2)23-26(22(27)29)16-24-12-14-25(15-13-24)20-10-6-7-11-21(20)28-3/h4-11H,12-16H2,1-3H3/p+1