sodium [3-fluoranyl-4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-propanoyl-azanide

Systemtic Name: sodium [3-fluoranyl-4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-propanoyl-azanide Openeye Name: sodium [3-fluoro-4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-propanoyl-azanide CAS Name: sodium [3-fluoro-4-[5-[4-(methylthio)phenyl]-3-(trifluoromethyl)-1-pyrazolyl]phenyl]sulfonyl-(1-oxopropyl)azanide IUPAC Name: sodium [3-fluoro-4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-propanoylazanide Traditional Name: sodium [3-fluoro-4-[5-[4-(methylthio)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-propionyl-azanide Formula: C20H16F4N3NaO3S2 MolecularWeight: 509.472723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N-]S(=O)(=O)C1=CC(=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)SC)F.[Na+]

Isomeric SMILES

CCC(=O)[N-]S(=O)(=O)C1=CC(=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)SC)F.[Na+]

InChI

InChI=1S/C20H17F4N3O3S2.Na/c1-3-19(28)26-32(29,30)14-8-9-16(15(21)10-14)27-17(11-18(25-27)20(22,23)24)12-4-6-13(31-2)7-5-12;/h4-11H,3H2,1-2H3,(H,26,28);/q;+1/p-1