2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-chloro-4,6-dimethylphenyl)acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide Formula: C23H19BrClN5OS MolecularWeight: 528.85186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrClN5OS/c1-14-10-15(2)21(19(25)11-14)27-20(31)13-32-23-29-28-22(16-4-3-9-26-12-16)30(23)18-7-5-17(24)6-8-18/h3-12H,13H2,1-2H3,(H,27,31)