(E)-3-(4-nitrophenyl)-N-(pyridin-3-ylmethylcarbamothioyl)prop-2-enamide

Systemtic Name: (E)-3-(4-nitrophenyl)-N-(pyridin-3-ylmethylcarbamothioyl)prop-2-enamide Openeye Name: (E)-3-(4-nitrophenyl)-N-(3-pyridylmethylcarbamothioyl)prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-nitrophenyl)-N-(pyridin-3-ylmethylcarbamothioyl)prop-2-enamide Traditional Name: (E)-3-(4-nitrophenyl)-N-(3-pyridylmethylthiocarbamoyl)acrylamide Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S/c21-15(8-5-12-3-6-14(7-4-12)20(22)23)19-16(24)18-11-13-2-1-9-17-10-13/h1-10H,11H2,(H2,18,19,21,24)/b8-5+