1-(4-ethanoylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCN(CC3)C(=O)C

InChI

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