2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br)C

InChI

InChI=1S/C19H19BrN4OS/c1-3-13-8-6-7-12(2)17(13)21-16(25)11-26-19-22-18(23-24-19)14-9-4-5-10-15(14)20/h4-10H,3,11H2,1-2H3,(H,21,25)(H,22,23,24)