2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-furoyl)piperazino]ethanone Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C4=CC=NC=C4

InChI

InChI=1S/C20H22N6O3S/c1-2-26-18(15-5-7-21-8-6-15)22-23-20(26)30-14-17(27)24-9-11-25(12-10-24)19(28)16-4-3-13-29-16/h3-8,13H,2,9-12,14H2,1H3