N-(4-bromanyl-2-propan-2-yl-phenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-propan-2-yl-phenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-isopropyl-phenyl)-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-isopropyl-phenyl)-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H26BrN5OS MolecularWeight: 488.44374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C(C)C)C3=CC=NC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C(C)C)C3=CC=NC=C3

InChI

InChI=1S/C22H26BrN5OS/c1-14(2)12-28-21(16-7-9-24-10-8-16)26-27-22(28)30-13-20(29)25-19-6-5-17(23)11-18(19)15(3)4/h5-11,14-15H,12-13H2,1-4H3,(H,25,29)