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

Systemtic Name: 1-(4-cyclopropylcarbonylpiperazin-1-yl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(cyclopropanecarbonyl)piperazino]ethanone Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C22H27N5O2S/c28-19(25-10-12-26(13-11-25)21(29)18-8-9-18)15-30-22-24-23-20(17-6-7-17)27(22)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2