3-[(2-methyl-1,2,3-thiadiazol-2-ium-5-yl)sulfinyl]butanoic acid

Systemtic Name: 3-[(2-methyl-1,2,3-thiadiazol-2-ium-5-yl)sulfinyl]butanoic acid Openeye Name: 3-(2-methylthiadiazol-2-ium-5-yl)sulfinylbutanoic acid CAS Name: 3-[(2-methyl-5-thiadiazol-2-iumyl)sulfinyl]butanoic acid IUPAC Name: 3-(2-methylthiadiazol-2-ium-5-yl)sulfinylbutanoic acid Traditional Name: 3-(2-methylthiadiazol-2-ium-5-yl)sulfinylbutyric acid Formula: C7H11N2O3S2+ MolecularWeight: 235.30384

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)S(=O)C1=CN=[N+](S1)C

Isomeric SMILES

CC(CC(=O)O)S(=O)C1=CN=[N+](S1)C

InChI

InChI=1S/C7H10N2O3S2/c1-5(3-6(10)11)14(12)7-4-8-9(2)13-7/h4-5H,3H2,1-2H3/p+1