3-methyl-N-[2,2,2-tris(chloranyl)-1-isothiocyanato-ethyl]butanamide

Systemtic Name: 3-methyl-N-[2,2,2-tris(chloranyl)-1-isothiocyanato-ethyl]butanamide Openeye Name: 3-methyl-N-(2,2,2-trichloro-1-isothiocyanato-ethyl)butanamide CAS Name: 3-methyl-N-(2,2,2-trichloro-1-isothiocyanatoethyl)butanamide IUPAC Name: 3-methyl-N-(2,2,2-trichloro-1-isothiocyanatoethyl)butanamide Traditional Name: 3-methyl-N-(2,2,2-trichloro-1-isothiocyanato-ethyl)butyramide Formula: C8H11Cl3N2OS MolecularWeight: 289.60974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11Cl3N2OS/c1-5(2)3-6(14)13-7(12-4-15)8(9,10)11/h5,7H,3H2,1-2H3,(H,13,14)