1-(1,4,5-trimethylimidazol-2-yl)sulfanylpropan-2-one

Systemtic Name: 1-(1,4,5-trimethylimidazol-2-yl)sulfanylpropan-2-one Openeye Name: 1-(1,4,5-trimethylimidazol-2-yl)sulfanylpropan-2-one CAS Name: 1-[(1,4,5-trimethyl-2-imidazolyl)thio]-2-propanone IUPAC Name: 1-(1,4,5-trimethylimidazol-2-yl)sulfanylpropan-2-one Traditional Name: 1-[(1,4,5-trimethylimidazol-2-yl)thio]acetone Formula: C9H14N2OS MolecularWeight: 198.28526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)C)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)C)C)C

InChI

InChI=1S/C9H14N2OS/c1-6(12)5-13-9-10-7(2)8(3)11(9)4/h5H2,1-4H3