2-methyl-3-oxidanylidene-2-(2-sulfanylethyl)-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid

Systemtic Name: 2-methyl-3-oxidanylidene-2-(2-sulfanylethyl)-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid Openeye Name: 2-methyl-3-oxo-2-(2-sulfanylethyl)-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid CAS Name: 2-(2-mercaptoethyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid IUPAC Name: 2-methyl-3-oxo-2-(2-sulfanylethyl)-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid Traditional Name: 3-keto-2-(2-mercaptoethyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid Formula: C11H18N2O3S MolecularWeight: 258.33722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN2CCCC(N2C1=O)C(=O)O)CCS

Isomeric SMILES

CC1(CN2CCCC(N2C1=O)C(=O)O)CCS

InChI

InChI=1S/C11H18N2O3S/c1-11(4-6-17)7-12-5-2-3-8(9(14)15)13(12)10(11)16/h8,17H,2-7H2,1H3,(H,14,15)