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

Systemtic Name: 3-[4-ethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C16H25N8OS+ MolecularWeight: 377.4877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N8OS/c1-2-23-14(5-4-13(17)25)20-24(16(23)26)12-21-8-10-22(11-9-21)15-18-6-3-7-19-15/h3,6-7H,2,4-5,8-12H2,1H3,(H2,17,25)/p+1