2-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C22H18N4O2S4 MolecularWeight: 498.66392

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5)SC=C2

InChI

InChI=1S/C22H18N4O2S4/c1-2-8-25-21(28)14-7-11-31-20(14)23-22(25)32-13-19(27)26-16(18-6-4-10-30-18)12-15(24-26)17-5-3-9-29-17/h2-7,9-11,16H,1,8,12-13H2