2-(3-methyl-2-sulfanylidene-imidazol-1-yl)ethanesulfonic acid

Systemtic Name: 2-(3-methyl-2-sulfanylidene-imidazol-1-yl)ethanesulfonic acid Openeye Name: 2-(3-methyl-2-thioxo-imidazol-1-yl)ethanesulfonic acid CAS Name: 2-(3-methyl-2-sulfanylidene-1-imidazolyl)ethanesulfonic acid IUPAC Name: 2-(3-methyl-2-sulfanylideneimidazol-1-yl)ethanesulfonic acid Traditional Name: 2-(3-methyl-2-thioxo-4-imidazolin-1-yl)ethanesulfonic acid Formula: C6H10N2O3S2 MolecularWeight: 222.2852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)CCS(=O)(=O)O

Isomeric SMILES

CN1C=CN(C1=S)CCS(=O)(=O)O

InChI

InChI=1S/C6H10N2O3S2/c1-7-2-3-8(6(7)12)4-5-13(9,10)11/h2-3H,4-5H2,1H3,(H,9,10,11)