1-[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C16H21N5OS/c1-12-3-5-14(6-4-12)15-17-16(23)21(18-15)11-19-7-9-20(10-8-19)13(2)22/h3-6H,7-11H2,1-2H3,(H,17,18,23)/p+1