2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C22H20N2O4S2 MolecularWeight: 440.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CO5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CO5)OC1

InChI

InChI=1S/C22H20N2O4S2/c25-22(14-30-15-6-7-19-20(12-15)28-10-3-9-27-19)24-17(18-4-1-8-26-18)13-16(23-24)21-5-2-11-29-21/h1-2,4-8,11-12,17H,3,9-10,13-14H2