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

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(m-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(m-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=C1)N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)C

InChI

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