2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(5-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(5-chloro-2-methyl-phenyl)acetamide Formula: C22H17BrClN5OS MolecularWeight: 514.82528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C22H17BrClN5OS/c1-14-2-5-17(24)12-19(14)26-20(30)13-31-22-28-27-21(15-8-10-25-11-9-15)29(22)18-6-3-16(23)4-7-18/h2-12H,13H2,1H3,(H,26,30)