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

Systemtic Name: 4-cyclopropyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H27N6OS+ MolecularWeight: 423.55438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C5CC5

InChI

InChI=1S/C22H26N6OS/c1-29-20-6-4-18(5-7-20)26-14-12-25(13-15-26)16-27-22(30)28(19-2-3-19)21(24-27)17-8-10-23-11-9-17/h4-11,19H,2-3,12-16H2,1H3/p+1