5-cyano-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamoyl]-6-methylsulfanyl-pyridin-2-olate

Systemtic Name: 5-cyano-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamoyl]-6-methylsulfanyl-pyridin-2-olate Openeye Name: 5-cyano-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamoyl]-6-methylsulfanyl-pyridin-2-olate CAS Name: 5-cyano-3-[[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylamino]-oxomethyl]-6-(methylthio)-2-pyridinolate IUPAC Name: 5-cyano-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylcarbamoyl]-6-methylsulfanylpyridin-2-olate Traditional Name: 5-cyano-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamoyl]-6-(methylthio)pyridin-2-olate Formula: C24H17FN5O2S- MolecularWeight: 458.487483

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C=C1C#N)C(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)[O-]

Isomeric SMILES

CSC1=NC(=C(C=C1C#N)C(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C24H18FN5O2S/c1-33-24-16(12-26)11-20(23(32)28-24)22(31)27-13-17-14-30(19-5-3-2-4-6-19)29-21(17)15-7-9-18(25)10-8-15/h2-11,14H,13H2,1H3,(H,27,31)(H,28,32)/p-1