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

Systemtic Name: 5-cyclopropyl-4-ethyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-ethyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-ethyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-ethyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-ethyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C16H24N7S+ MolecularWeight: 346.47366

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)C4CC4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)C4CC4

InChI

InChI=1S/C16H23N7S/c1-2-22-14(13-4-5-13)19-23(16(22)24)12-20-8-10-21(11-9-20)15-17-6-3-7-18-15/h3,6-7,13H,2,4-5,8-12H2,1H3/p+1