N-[[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonylamino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonylamino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[[[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name: N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]thiocarbamoyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide Formula: C22H17FN6O3S MolecularWeight: 464.472183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN6O3S/c1-12-18(19(29-32-12)14-5-3-2-4-6-14)21(31)24-22(33)28-27-20(30)17-11-16(25-26-17)13-7-9-15(23)10-8-13/h2-11H,1H3,(H,25,26)(H,27,30)(H2,24,28,31,33)