6-cyano-3-oxidanylidene-2-(2-phenylsulfanylethanoyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid

Systemtic Name: 6-cyano-3-oxidanylidene-2-(2-phenylsulfanylethanoyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid Openeye Name: 6-cyano-3-oxo-2-(2-phenylsulfanylacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid CAS Name: 6-cyano-3-oxo-2-[1-oxo-2-(phenylthio)ethyl]-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid IUPAC Name: 6-cyano-3-oxo-2-(2-phenylsulfanylacetyl)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid Traditional Name: 6-cyano-3-keto-2-[2-(phenylthio)acetyl]-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N2N1CC(=C2C(=O)O)C#N)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1C(C(=O)N2N1CC(=C2C(=O)O)C#N)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C16H13N3O4S/c17-6-10-7-18-8-12(15(21)19(18)14(10)16(22)23)13(20)9-24-11-4-2-1-3-5-11/h1-5,12H,7-9H2,(H,22,23)