2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C21H24N6O2S/c28-19(26-11-9-25(10-12-26)18-5-1-2-8-22-18)15-30-21-24-23-20(16-6-7-16)27(21)14-17-4-3-13-29-17/h1-5,8,13,16H,6-7,9-12,14-15H2