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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]thio]ethanone Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16N2O4S/c1-24-15-5-2-13(3-6-15)16-8-9-21-20(22-16)27-11-17(23)14-4-7-18-19(10-14)26-12-25-18/h2-10H,11-12H2,1H3