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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone hydrochloride Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone hydrochloride CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone hydrochloride IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone hydrochloride Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone hydrochloride Formula: C15H15ClN2O3S MolecularWeight: 338.8092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC3=C(C=C2)OCO3)C.Cl

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC3=C(C=C2)OCO3)C.Cl

InChI

InChI=1S/C15H14N2O3S.ClH/c1-9-5-10(2)17-15(16-9)21-7-12(18)11-3-4-13-14(6-11)20-8-19-13;/h3-6H,7-8H2,1-2H3;1H