N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-(3-cyano-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-methyl-phenyl]-2-(3-cyano-1,2,4-triazol-1-yl)ethanamide Openeye Name: 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,6-dibromo-4-methyl-phenyl)acetamide CAS Name: 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,6-dibromo-4-methylphenyl)acetamide IUPAC Name: 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,6-dibromo-4-methylphenyl)acetamide Traditional Name: 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,6-dibromo-4-methyl-phenyl)acetamide Formula: C12H9Br2N5O MolecularWeight: 399.04076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)CN2C=NC(=N2)C#N)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)CN2C=NC(=N2)C#N)Br

InChI

InChI=1S/C12H9Br2N5O/c1-7-2-8(13)12(9(14)3-7)17-11(20)5-19-6-16-10(4-15)18-19/h2-3,6H,5H2,1H3,(H,17,20)