2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone Formula: C22H20N2O3S3 MolecularWeight: 456.6008

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5)OC1

InChI

InChI=1S/C22H20N2O3S3/c25-22(14-30-15-6-7-18-19(12-15)27-9-3-8-26-18)24-17(21-5-2-11-29-21)13-16(23-24)20-4-1-10-28-20/h1-2,4-7,10-12,17H,3,8-9,13-14H2