sodium 2-[3-naphthalen-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: sodium 2-[3-naphthalen-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[3-(1-naphthyl)-5-(trifluoromethyl)pyrazol-1-yl]thiazole-4-carboxylate CAS Name: sodium 2-[3-(1-naphthalenyl)-5-(trifluoromethyl)-1-pyrazolyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[3-naphthalen-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[3-(1-naphthyl)-5-(trifluoromethyl)pyrazol-1-yl]thiazole-4-carboxylate Formula: C18H9F3N3NaO2S MolecularWeight: 411.33294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NN(C(=C3)C(F)(F)F)C4=NC(=CS4)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NN(C(=C3)C(F)(F)F)C4=NC(=CS4)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H10F3N3O2S.Na/c19-18(20,21)15-8-13(12-7-3-5-10-4-1-2-6-11(10)12)23-24(15)17-22-14(9-27-17)16(25)26;/h1-9H,(H,25,26);/q;+1/p-1