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

Systemtic Name: (2S)-6-cyano-3-oxidanylidene-2-(2-phenylsulfanylethanoylamino)-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid Openeye Name: (2S)-6-cyano-3-oxo-2-[(2-phenylsulfanylacetyl)amino]-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid CAS Name: (2S)-6-cyano-3-oxo-2-[[1-oxo-2-(phenylthio)ethyl]amino]-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid IUPAC Name: (2S)-6-cyano-3-oxo-2-[(2-phenylsulfanylacetyl)amino]-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid Traditional Name: (2S)-6-cyano-3-keto-2-[[2-(phenylthio)acetyl]amino]-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H](C(=O)N2N1CC(=C2C(=O)O)C#N)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C16H14N4O4S/c17-6-10-7-19-8-12(15(22)20(19)14(10)16(23)24)18-13(21)9-25-11-4-2-1-3-5-11/h1-5,12H,7-9H2,(H,18,21)(H,23,24)/t12-/m0/s1