sodium [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylazanide

Systemtic Name: sodium [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylazanide Openeye Name: sodium [4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylazanide CAS Name: sodium [4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]phenyl]sulfonylazanide IUPAC Name: sodium [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylazanide Traditional Name: sodium [4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylazanide Formula: C17H13F3N3NaO2S MolecularWeight: 403.354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)[NH-])C(F)(F)F.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)[NH-])C(F)(F)F.[Na+]

InChI

InChI=1S/C17H13F3N3O2S.Na/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25;/h2-10H,1H3,(H-,21,24,25);/q-1;+1