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

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-(isonicotinamidothiocarbamoyl)-3-(3-nitrophenyl)acrylamide Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NNC(=O)C2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H13N5O4S/c22-14(5-4-11-2-1-3-13(10-11)21(24)25)18-16(26)20-19-15(23)12-6-8-17-9-7-12/h1-10H,(H,19,23)(H2,18,20,22,26)/b5-4+