1-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]thio]ethanone Formula: C20H14N2O5S MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)SCC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)SCC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H14N2O5S/c23-15(13-2-4-17-19(8-13)27-11-25-17)9-28-20-21-6-5-14(22-20)12-1-3-16-18(7-12)26-10-24-16/h1-8H,9-11H2