1-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-4-pyrazolecarboxylate IUPAC Name: 1-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Formula: C12H5F3N3O2S- MolecularWeight: 312.24721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C=N3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C=N3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H6F3N3O2S/c13-12(14,15)9-6(10(19)20)5-16-18(9)11-17-7-3-1-2-4-8(7)21-11/h1-5H,(H,19,20)/p-1