3-[2-methyl-3-oxidanylidene-2-(2-sulfanylethyl)pyrazolidin-2-ium-1-yl]-3,4-dihydropyridazine-5-carboxylic acid

Systemtic Name: 3-[2-methyl-3-oxidanylidene-2-(2-sulfanylethyl)pyrazolidin-2-ium-1-yl]-3,4-dihydropyridazine-5-carboxylic acid Openeye Name: 3-[2-methyl-3-oxo-2-(2-sulfanylethyl)pyrazolidin-2-ium-1-yl]-3,4-dihydropyridazine-5-carboxylic acid CAS Name: 3-[2-(2-mercaptoethyl)-2-methyl-3-oxo-1-pyrazolidin-2-iumyl]-3,4-dihydropyridazine-5-carboxylic acid IUPAC Name: 3-[2-methyl-3-oxo-2-(2-sulfanylethyl)pyrazolidin-2-ium-1-yl]-3,4-dihydropyridazine-5-carboxylic acid Traditional Name: 3-[3-keto-2-(2-mercaptoethyl)-2-methyl-pyrazolidin-2-ium-1-yl]-3,4-dihydropyridazine-5-carboxylic acid Formula: C11H17N4O3S+ MolecularWeight: 285.34268

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)CCN1C2CC(=CN=N2)C(=O)O)CCS

Isomeric SMILES

C[N+]1(C(=O)CCN1C2CC(=CN=N2)C(=O)O)CCS

InChI

InChI=1S/C11H16N4O3S/c1-15(4-5-19)10(16)2-3-14(15)9-6-8(11(17)18)7-12-13-9/h7,9H,2-6H2,1H3,(H-,17,18,19)/p+1