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

Systemtic Name: 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C17H22N7S2+ MolecularWeight: 388.53348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)CC4=CC=CS4

InChI

InChI=1S/C17H21N7S2/c1-21-15(12-14-4-2-11-26-14)20-24(17(21)25)13-22-7-9-23(10-8-22)16-18-5-3-6-19-16/h2-6,11H,7-10,12-13H2,1H3/p+1