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

Systemtic Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(o-tolyl)-1,2,4-triazole-3-thione Formula: C20H24N5OS+ MolecularWeight: 382.50246

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5OS/c1-16-6-2-3-7-17(16)24-14-21-25(20(24)27)15-22-10-12-23(13-11-22)18-8-4-5-9-19(18)26/h2-9,14,26H,10-13,15H2,1H3/p+1