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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-methyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-methylimidazol-2-yl)thio]ethanone Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C=CN=C1SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12N2O3S/c1-15-5-4-14-13(15)19-7-10(16)9-2-3-11-12(6-9)18-8-17-11/h2-6H,7-8H2,1H3