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

Systemtic Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(o-tolyl)-1,2,4-triazole-3-thione Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C

InChI

InChI=1S/C21H25N5OS/c1-16-7-3-4-8-18(16)26-17(2)22-25(21(26)28)15-23-11-13-24(14-12-23)19-9-5-6-10-20(19)27/h3-10,27H,11-15H2,1-2H3/p+1