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

Systemtic Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

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