1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(4-ethanoyl-2-methoxy-phenoxy)ethanone

Systemtic Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(4-ethanoyl-2-methoxy-phenoxy)ethanone Openeye Name: 2-(4-acetyl-2-methoxy-phenoxy)-1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(4-acetyl-2-methoxyphenoxy)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(4-acetyl-2-methoxyphenoxy)-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-(4-acetyl-2-methoxy-phenoxy)-1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)OC

InChI

InChI=1S/C22H20N2O4S2/c1-14(25)15-7-8-18(19(11-15)27-2)28-13-22(26)24-17(21-6-4-10-30-21)12-16(23-24)20-5-3-9-29-20/h3-11,17H,12-13H2,1-2H3