4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-(4-acetylpiperazino)-2-keto-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate Formula: C17H20N5O2S- MolecularWeight: 358.438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N3CCN(CC3)C(=O)C)[S-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N3CCN(CC3)C(=O)C)[S-]

InChI

InChI=1S/C17H21N5O2S/c1-12-4-3-5-14(10-12)16-18-19-17(25)22(16)11-15(24)21-8-6-20(7-9-21)13(2)23/h3-5,10H,6-9,11H2,1-2H3,(H,19,25)/p-1