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

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C23H26ClN7OS MolecularWeight: 484.01684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5Cl

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5Cl

InChI

InChI=1S/C23H26ClN7OS/c24-19-9-4-3-8-18(19)21-27-28-23(31(21)17-6-1-2-7-17)33-16-20(32)29-12-14-30(15-13-29)22-25-10-5-11-26-22/h3-5,8-11,17H,1-2,6-7,12-16H2