N-[2,4-bis(bromanyl)phenyl]-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,4-bis(bromanyl)phenyl]-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(2,4-dibromophenyl)acetamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-(2,4-dibromophenyl)acetamide Formula: C16H13Br2N3OS MolecularWeight: 455.16692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=C(C=C(C=C2)Br)Br)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=C(C=C(C=C2)Br)Br)C

InChI

InChI=1S/C16H13Br2N3OS/c1-9-5-10(2)20-16(12(9)7-19)23-8-15(22)21-14-4-3-11(17)6-13(14)18/h3-6H,8H2,1-2H3,(H,21,22)