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

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]acrylamide Formula: C15H14FN5O2S MolecularWeight: 347.367363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C15H14FN5O2S/c1-9-8-12(19-18-9)14(23)20-21-15(24)17-13(22)7-4-10-2-5-11(16)6-3-10/h2-8H,1H3,(H,18,19)(H,20,23)(H2,17,21,22,24)/b7-4+