S-pyridin-2-yl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate

Systemtic Name: S-pyridin-2-yl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate Openeye Name: S-(2-pyridyl) 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate CAS Name: 1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolecarbothioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate Traditional Name: 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioic acid S-(2-pyridyl) ester Formula: C16H9F3N4O3S MolecularWeight: 394.32787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9F3N4O3S/c17-16(18,19)14-12(15(24)27-13-3-1-2-8-20-13)9-21-22(14)10-4-6-11(7-5-10)23(25)26/h1-9H