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

Systemtic Name: 3-[4-methyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C15H23N8OS+ MolecularWeight: 363.46112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)CCC(=O)N

InChI

InChI=1S/C15H22N8OS/c1-20-13(4-3-12(16)24)19-23(15(20)25)11-21-7-9-22(10-8-21)14-17-5-2-6-18-14/h2,5-6H,3-4,7-11H2,1H3,(H2,16,24)/p+1