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

Systemtic Name: 3-[4-methyl-5-sulfanylidene-1-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-1-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-1-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-sulfanylidene-1-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-1-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C16H23N6O2S2+ MolecularWeight: 395.52282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)CCC(=O)N

InChI

InChI=1S/C16H22N6O2S2/c1-19-14(5-4-13(17)23)18-22(16(19)25)11-20-6-8-21(9-7-20)15(24)12-3-2-10-26-12/h2-3,10H,4-9,11H2,1H3,(H2,17,23)/p+1