(E)-3-(4-chloranyl-3-nitro-phenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-(isonicotinamidothiocarbamoyl)acrylamide Formula: C16H12ClN5O4S MolecularWeight: 405.81558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)NC(=S)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O4S/c17-12-3-1-10(9-13(12)22(25)26)2-4-14(23)19-16(27)21-20-15(24)11-5-7-18-8-6-11/h1-9H,(H,20,24)(H2,19,21,23,27)/b4-2+