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

Systemtic Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C20H25N7S+2 MolecularWeight: 395.5244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CN=CC=C5

InChI

InChI=1S/C20H23N7S/c28-20-26(15-24-10-12-25(13-11-24)18-5-1-2-9-22-18)23-19(27(20)17-6-7-17)16-4-3-8-21-14-16/h1-5,8-9,14,17H,6-7,10-13,15H2/p+2