2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H27N7O2S MolecularWeight: 453.56048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CO5

InChI

InChI=1S/C22H27N7O2S/c30-19(27-11-13-28(14-12-27)21-23-9-5-10-24-21)16-32-22-26-25-20(18-8-4-15-31-18)29(22)17-6-2-1-3-7-17/h4-5,8-10,15,17H,1-3,6-7,11-14,16H2