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

Systemtic Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C19H24N6S2+2 MolecularWeight: 400.56406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CS5

InChI

InChI=1S/C19H22N6S2/c26-19-24(21-18(16-4-3-13-27-16)25(19)15-6-7-15)14-22-9-11-23(12-10-22)17-5-1-2-8-20-17/h1-5,8,13,15H,6-7,9-12,14H2/p+2