4-methyl-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C23H32N6S+2 MolecularWeight: 424.60538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C

InChI

InChI=1S/C23H30N6S/c1-18(2)20-6-4-19(5-7-20)16-27-12-14-28(15-13-27)17-29-23(30)26(3)22(25-29)21-8-10-24-11-9-21/h4-11,18H,12-17H2,1-3H3/p+2