(E)-3-(4-fluorophenyl)-N-[[(4-methyl-3-phenyl-1H-pyrazol-5-yl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[[(4-methyl-3-phenyl-1H-pyrazol-5-yl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[[(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[[(4-methyl-3-phenyl-1H-pyrazol-5-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[[(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-[[(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)amino]thiocarbamoyl]acrylamide Formula: C21H18FN5O2S MolecularWeight: 423.463323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(NN=C1C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN5O2S/c1-13-18(15-5-3-2-4-6-15)24-25-19(13)20(29)26-27-21(30)23-17(28)12-9-14-7-10-16(22)11-8-14/h2-12H,1H3,(H,24,25)(H,26,29)(H2,23,27,28,30)/b12-9+