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

Systemtic Name: 1-(4-cyclopropylcarbonylpiperazin-1-yl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[4-(cyclopropanecarbonyl)piperazino]-2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C(=O)C3CC3)C4=CC(=CC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C(=O)C3CC3)C4=CC(=CC=C4)C

InChI

InChI=1S/C21H27N5O2S/c1-3-26-19(17-6-4-5-15(2)13-17)22-23-21(26)29-14-18(27)24-9-11-25(12-10-24)20(28)16-7-8-16/h4-6,13,16H,3,7-12,14H2,1-2H3