1-(1,3-benzodioxol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]ethanone Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H16N2O3S/c1-9-10(2)17-16(18-11(9)3)22-7-13(19)12-4-5-14-15(6-12)21-8-20-14/h4-6H,7-8H2,1-3H3