1-(1,3-benzodioxol-5-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-methylpyrimidin-2-yl)thio]ethanone Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H12N2O3S/c1-9-4-5-15-14(16-9)20-7-11(17)10-2-3-12-13(6-10)19-8-18-12/h2-6H,7-8H2,1H3