ethyl 1-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(4-nitrophenyl)thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-(4-nitrophenyl)-2-thiazolyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-(4-nitrophenyl)thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C16H11F3N4O4S MolecularWeight: 412.34315

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H11F3N4O4S/c1-2-27-14(24)11-7-20-22(13(11)16(17,18)19)15-21-12(8-28-15)9-3-5-10(6-4-9)23(25)26/h3-8H,2H2,1H3