2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[5-(2-furyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[5-(2-furanyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[3-(2-furyl)-5-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)N3C(CC(=N3)C4=CC=CO4)C5=CC=CS5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)N3C(CC(=N3)C4=CC=CO4)C5=CC=CS5

InChI

InChI=1S/C21H18N2O4S2/c24-21(13-29-14-5-6-18-19(11-14)27-9-8-26-18)23-16(20-4-2-10-28-20)12-15(22-23)17-3-1-7-25-17/h1-7,10-11,16H,8-9,12-13H2