4-chloranyl-N-[2,2,2-tris(fluoranyl)-1-isothiocyanato-ethyl]benzamide

Systemtic Name: 4-chloranyl-N-[2,2,2-tris(fluoranyl)-1-isothiocyanato-ethyl]benzamide Openeye Name: 4-chloro-N-(2,2,2-trifluoro-1-isothiocyanato-ethyl)benzamide CAS Name: 4-chloro-N-(2,2,2-trifluoro-1-isothiocyanatoethyl)benzamide IUPAC Name: 4-chloro-N-(2,2,2-trifluoro-1-isothiocyanatoethyl)benzamide Traditional Name: 4-chloro-N-(2,2,2-trifluoro-1-isothiocyanato-ethyl)benzamide Formula: C10H6ClF3N2OS MolecularWeight: 294.68065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(C(F)(F)F)N=C=S)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(C(F)(F)F)N=C=S)Cl

InChI

InChI=1S/C10H6ClF3N2OS/c11-7-3-1-6(2-4-7)8(17)16-9(15-5-18)10(12,13)14/h1-4,9H,(H,16,17)