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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NCC2=CN=CC=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C16H14N4O3S/c21-15(7-6-12-3-1-5-14(9-12)20(22)23)19-16(24)18-11-13-4-2-8-17-10-13/h1-10H,11H2,(H2,18,19,21,24)/b7-6+