1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-methylsulfanylphenoxy)ethanone

Systemtic Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-methylsulfanylphenoxy)ethanone Openeye Name: 1-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylsulfanylphenoxy)ethanone CAS Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(methylthio)phenoxy]ethanone IUPAC Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-methylsulfanylphenoxy)ethanone Traditional Name: 1-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-[4-(methylthio)phenoxy]ethanone Formula: C20H18N2O2S3 MolecularWeight: 414.56412

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CSC1=CC=C(C=C1)OCC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C20H18N2O2S3/c1-25-15-8-6-14(7-9-15)24-13-20(23)22-17(19-5-3-11-27-19)12-16(21-22)18-4-2-10-26-18/h2-11,17H,12-13H2,1H3/t17-/m0/s1