1-[5-(methylsulfonylsulfanylmethyl)imidazol-1-yl]propan-2-one

Systemtic Name: 1-[5-(methylsulfonylsulfanylmethyl)imidazol-1-yl]propan-2-one Openeye Name: 1-[5-(methylsulfonylsulfanylmethyl)imidazol-1-yl]propan-2-one CAS Name: 1-[5-[(methylsulfonylthio)methyl]-1-imidazolyl]-2-propanone IUPAC Name: 1-[5-(methylsulfonylsulfanylmethyl)imidazol-1-yl]propan-2-one Traditional Name: 1-[5-[(mesylthio)methyl]imidazol-1-yl]acetone Formula: C8H12N2O3S2 MolecularWeight: 248.32248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC=C1CSS(=O)(=O)C

Isomeric SMILES

CC(=O)CN1C=NC=C1CSS(=O)(=O)C

InChI

InChI=1S/C8H12N2O3S2/c1-7(11)4-10-6-9-3-8(10)5-14-15(2,12)13/h3,6H,4-5H2,1-2H3