(E)-3-(4-fluorophenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-(isonicotinamidothiocarbamoyl)acrylamide Formula: C16H13FN4O2S MolecularWeight: 344.363423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NNC(=O)C2=CC=NC=C2)F

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC(=S)NNC(=O)C2=CC=NC=C2)F

InChI

InChI=1S/C16H13FN4O2S/c17-13-4-1-11(2-5-13)3-6-14(22)19-16(24)21-20-15(23)12-7-9-18-10-8-12/h1-10H,(H,20,23)(H2,19,21,22,24)/b6-3+