2-(3-azanyl-1,2-benzoxazol-5-yl)-N-[3-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(3-azanyl-1,2-benzoxazol-5-yl)-N-[3-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 2-(3-aminoindoxazen-5-yl)-N-[3-fluoro-4-(2-mesylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C25H17F4N5O4S MolecularWeight: 559.492193

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=C(C=C(C=C2)NC(=O)C3=CC(=NN3C4=CC5=C(C=C4)ON=C5N)C(F)(F)F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=C(C=C(C=C2)NC(=O)C3=CC(=NN3C4=CC5=C(C=C4)ON=C5N)C(F)(F)F)F

InChI

InChI=1S/C25H17F4N5O4S/c1-39(36,37)21-5-3-2-4-16(21)15-8-6-13(10-18(15)26)31-24(35)19-12-22(25(27,28)29)32-34(19)14-7-9-20-17(11-14)23(30)33-38-20/h2-12H,1H3,(H2,30,33)(H,31,35)