2-[[4-(2-bromanyl-4-methyl-phenyl)-5-quinolin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-(2-bromanyl-4-methyl-phenyl)-5-quinolin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-(2-bromo-4-methyl-phenyl)-5-(2-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(2-bromo-4-methylphenyl)-5-(2-quinolinyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(2-bromo-4-methylphenyl)-5-quinolin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-(2-bromo-4-methyl-phenyl)-5-(2-quinolyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C26H20BrN5OS MolecularWeight: 530.4389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4)Br

InChI

InChI=1S/C26H20BrN5OS/c1-17-11-14-23(20(27)15-17)32-25(22-13-12-18-7-5-6-10-21(18)29-22)30-31-26(32)34-16-24(33)28-19-8-3-2-4-9-19/h2-15H,16H2,1H3,(H,28,33)