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

Systemtic Name: 4-cyclopropyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C18H22N7S2+ MolecularWeight: 400.54418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CS5

InChI

InChI=1S/C18H21N7S2/c26-18-24(21-16(15-3-1-12-27-15)25(18)14-4-5-14)13-22-8-10-23(11-9-22)17-19-6-2-7-20-17/h1-3,6-7,12,14H,4-5,8-11,13H2/p+1