3-phenyl-N-[2,2,2-tris(chloranyl)-1-isothiocyanato-ethyl]propanamide

Systemtic Name: 3-phenyl-N-[2,2,2-tris(chloranyl)-1-isothiocyanato-ethyl]propanamide Openeye Name: 3-phenyl-N-(2,2,2-trichloro-1-isothiocyanato-ethyl)propanamide CAS Name: 3-phenyl-N-(2,2,2-trichloro-1-isothiocyanatoethyl)propanamide IUPAC Name: 3-phenyl-N-(2,2,2-trichloro-1-isothiocyanatoethyl)propanamide Traditional Name: 3-phenyl-N-(2,2,2-trichloro-1-isothiocyanato-ethyl)propionamide Formula: C12H11Cl3N2OS MolecularWeight: 337.65254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(C(Cl)(Cl)Cl)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(C(Cl)(Cl)Cl)N=C=S

InChI

InChI=1S/C12H11Cl3N2OS/c13-12(14,15)11(16-8-19)17-10(18)7-6-9-4-2-1-3-5-9/h1-5,11H,6-7H2,(H,17,18)