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

Systemtic Name: 4-cyclopropyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C19H24N7S2+ MolecularWeight: 414.57076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4)CC5=CC=CS5

InChI

InChI=1S/C19H23N7S2/c27-19-25(14-23-8-10-24(11-9-23)18-20-6-2-7-21-18)22-17(26(19)15-4-5-15)13-16-3-1-12-28-16/h1-3,6-7,12,15H,4-5,8-11,13-14H2/p+1