1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C19H16N6OS3 MolecularWeight: 440.56494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C19H16N6OS3/c1-24-18-12(9-22-24)19(21-11-20-18)29-10-17(26)25-14(16-5-3-7-28-16)8-13(23-25)15-4-2-6-27-15/h2-7,9,11,14H,8,10H2,1H3