2-chloranyl-N-[(2,6-dimethylphenyl)-isothiocyanato-methyl]ethanamide

Systemtic Name: 2-chloranyl-N-[(2,6-dimethylphenyl)-isothiocyanato-methyl]ethanamide Openeye Name: 2-chloro-N-[(2,6-dimethylphenyl)-isothiocyanato-methyl]acetamide CAS Name: 2-chloro-N-[(2,6-dimethylphenyl)-isothiocyanatomethyl]acetamide IUPAC Name: 2-chloro-N-[(2,6-dimethylphenyl)-isothiocyanatomethyl]acetamide Traditional Name: 2-chloro-N-[(2,6-dimethylphenyl)-isothiocyanato-methyl]acetamide Formula: C12H13ClN2OS MolecularWeight: 268.76242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2OS/c1-8-4-3-5-9(2)11(8)12(14-7-17)15-10(16)6-13/h3-5,12H,6H2,1-2H3,(H,15,16)