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

Systemtic Name: 4-(4-methoxyphenyl)-2-[[4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-isopentylpiperazin-4-ium-1-yl)methyl]-4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-methoxyphenyl)-2-[[4-(3-methylbutyl)-1-piperazin-4-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-methoxyphenyl)-2-[[4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-isoamylpiperazin-4-ium-1-yl)methyl]-4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C24H33N6OS+ MolecularWeight: 453.62342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H32N6OS/c1-19(2)10-13-27-14-16-28(17-15-27)18-29-24(32)30(21-4-6-22(31-3)7-5-21)23(26-29)20-8-11-25-12-9-20/h4-9,11-12,19H,10,13-18H2,1-3H3/p+1