1-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethanone Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16N2O3S/c1-13-9-16(14-5-3-2-4-6-14)22-20(21-13)26-11-17(23)15-7-8-18-19(10-15)25-12-24-18/h2-10H,11-12H2,1H3