3-methyl-N-[2,2,2-tris(chloranyl)-1-(pyridin-2-ylcarbamothioylamino)ethyl]but-2-enamide

Systemtic Name: 3-methyl-N-[2,2,2-tris(chloranyl)-1-(pyridin-2-ylcarbamothioylamino)ethyl]but-2-enamide Openeye Name: 3-methyl-N-[2,2,2-trichloro-1-(2-pyridylcarbamothioylamino)ethyl]but-2-enamide CAS Name: 3-methyl-N-[2,2,2-trichloro-1-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]ethyl]-2-butenamide IUPAC Name: 3-methyl-N-[2,2,2-trichloro-1-(pyridin-2-ylcarbamothioylamino)ethyl]but-2-enamide Traditional Name: 3-methyl-N-[2,2,2-trichloro-1-(2-pyridylthiocarbamoylamino)ethyl]but-2-enamide Formula: C13H15Cl3N4OS MolecularWeight: 381.7084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=N1)C

Isomeric SMILES

CC(=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=N1)C

InChI

InChI=1S/C13H15Cl3N4OS/c1-8(2)7-10(21)19-11(13(14,15)16)20-12(22)18-9-5-3-4-6-17-9/h3-7,11H,1-2H3,(H,19,21)(H2,17,18,20,22)