(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfanyl-ethoxy-phosphinic acid

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfanyl-ethoxy-phosphinic acid Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfanyl-ethoxy-phosphinic acid CAS Name: [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thio]-ethoxyphosphinic acid IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfanyl-ethoxyphosphinic acid Traditional Name: ethoxy-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thio]phosphinic acid Formula: C13H17N2O4PS MolecularWeight: 328.323841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(O)SC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCOP(=O)(O)SC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C13H17N2O4PS/c1-4-19-20(17,18)21-12-10(2)14(3)15(13(12)16)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,17,18)