2-(3-methyl-5-sulfanylidene-1,4-dihydropyrazol-4-yl)ethanesulfonic acid

Systemtic Name: 2-(3-methyl-5-sulfanylidene-1,4-dihydropyrazol-4-yl)ethanesulfonic acid Openeye Name: 2-(3-methyl-5-thioxo-1,4-dihydropyrazol-4-yl)ethanesulfonic acid CAS Name: 2-(3-methyl-5-sulfanylidene-1,4-dihydropyrazol-4-yl)ethanesulfonic acid IUPAC Name: 2-(3-methyl-5-sulfanylidene-1,4-dihydropyrazol-4-yl)ethanesulfonic acid Traditional Name: 2-(3-methyl-5-thioxo-2-pyrazolin-4-yl)ethanesulfonic acid Formula: C6H10N2O3S2 MolecularWeight: 222.2852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)C1CCS(=O)(=O)O

Isomeric SMILES

CC1=NNC(=S)C1CCS(=O)(=O)O

InChI

InChI=1S/C6H10N2O3S2/c1-4-5(6(12)8-7-4)2-3-13(9,10)11/h5H,2-3H2,1H3,(H,8,12)(H,9,10,11)