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

Systemtic Name: 4-(3-chloranyl-2-methyl-phenyl)-2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(3-chloro-2-methyl-phenyl)-2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-chloro-2-methylphenyl)-2-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chloro-2-methylphenyl)-2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(3-chloro-2-methyl-phenyl)-2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C25H26ClN6OS+ MolecularWeight: 494.03154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C5=CC=NC=C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C5=CC=NC=C5

InChI

InChI=1S/C25H25ClN6OS/c1-18-20(26)5-4-7-21(18)32-24(19-9-11-27-12-10-19)28-31(25(32)34)17-29-13-15-30(16-14-29)22-6-2-3-8-23(22)33/h2-12,33H,13-17H2,1H3/p+1