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

Systemtic Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CO4

InChI

InChI=1S/C18H21N7O2S/c1-2-25-16(14-5-3-12-27-14)21-22-18(25)28-13-15(26)23-8-10-24(11-9-23)17-19-6-4-7-20-17/h3-7,12H,2,8-11,13H2,1H3