N-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)-2-diethoxyphosphoryl-ethanamide

Systemtic Name: N-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)-2-diethoxyphosphoryl-ethanamide Openeye Name: N-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)-2-diethoxyphosphoryl-acetamide CAS Name: N-[4-cyano-5-(methylthio)-2-phenyl-3-pyrazolyl]-2-diethoxyphosphorylacetamide IUPAC Name: N-(4-cyano-5-methylsulfanyl-2-phenylpyrazol-3-yl)-2-diethoxyphosphorylacetamide Traditional Name: N-[4-cyano-5-(methylthio)-2-phenyl-pyrazol-3-yl]-2-diethoxyphosphoryl-acetamide Formula: C17H21N4O4PS MolecularWeight: 408.411801

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)NC1=C(C(=NN1C2=CC=CC=C2)SC)C#N)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)NC1=C(C(=NN1C2=CC=CC=C2)SC)C#N)OCC

InChI

InChI=1S/C17H21N4O4PS/c1-4-24-26(23,25-5-2)12-15(22)19-16-14(11-18)17(27-3)20-21(16)13-9-7-6-8-10-13/h6-10H,4-5,12H2,1-3H3,(H,19,22)