3-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-[[(4-bromo-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-4-methyl-6-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C14H8BrF3N6O4S MolecularWeight: 493.21533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)C(F)(F)F

InChI

InChI=1S/C14H8BrF3N6O4S/c1-3-2-4(14(16,17)18)20-13-5(3)7(9(29-13)10(19)25)21-12(26)8-6(15)11(23-22-8)24(27)28/h2H,1H3,(H2,19,25)(H,21,26)(H,22,23)