2-[3-cyclopropyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[3-cyclopropyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-cyclopropyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-cyclopropyl-1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-sulfanylidene-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-cyclopropyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-cyclopropyl-1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-5-thioxo-1,2,4-triazol-4-yl]acetamide Formula: C16H23N8OS+ MolecularWeight: 375.47182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2CC(=O)N)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC1C2=NN(C(=S)N2CC(=O)N)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C16H22N8OS/c17-13(25)10-23-14(12-2-3-12)20-24(16(23)26)11-21-6-8-22(9-7-21)15-18-4-1-5-19-15/h1,4-5,12H,2-3,6-11H2,(H2,17,25)/p+1