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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)ethanone Formula: C21H18N2O3S3 MolecularWeight: 442.57422

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)N3[C@H](CC(=N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C21H18N2O3S3/c24-21(13-29-14-5-6-17-18(11-14)26-8-7-25-17)23-16(20-4-2-10-28-20)12-15(22-23)19-3-1-9-27-19/h1-6,9-11,16H,7-8,12-13H2/t16-/m1/s1