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

Systemtic Name: 4-methyl-N-[2,2,2-tris(chloranyl)-1-isothiocyanato-ethyl]benzamide Openeye Name: 4-methyl-N-(2,2,2-trichloro-1-isothiocyanato-ethyl)benzamide CAS Name: 4-methyl-N-(2,2,2-trichloro-1-isothiocyanatoethyl)benzamide IUPAC Name: 4-methyl-N-(2,2,2-trichloro-1-isothiocyanatoethyl)benzamide Traditional Name: 4-methyl-N-(2,2,2-trichloro-1-isothiocyanato-ethyl)benzamide Formula: C11H9Cl3N2OS MolecularWeight: 323.62596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)N=C=S

InChI

InChI=1S/C11H9Cl3N2OS/c1-7-2-4-8(5-3-7)9(17)16-10(15-6-18)11(12,13)14/h2-5,10H,1H3,(H,16,17)