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

Systemtic Name: N-[2,2-bis(chloranyl)-1-isothiocyanato-ethyl]-4-methyl-benzamide Openeye Name: N-(2,2-dichloro-1-isothiocyanato-ethyl)-4-methyl-benzamide CAS Name: N-(2,2-dichloro-1-isothiocyanatoethyl)-4-methylbenzamide IUPAC Name: N-(2,2-dichloro-1-isothiocyanatoethyl)-4-methylbenzamide Traditional Name: N-(2,2-dichloro-1-isothiocyanato-ethyl)-4-methyl-benzamide Formula: C11H10Cl2N2OS MolecularWeight: 289.1809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10Cl2N2OS/c1-7-2-4-8(5-3-7)11(16)15-10(9(12)13)14-6-17/h2-5,9-10H,1H3,(H,15,16)