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

Systemtic Name: N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H15BrClN5OS MolecularWeight: 500.7987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=NC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrClN5OS/c22-14-4-8-16(9-5-14)25-19(29)13-30-21-27-26-20(18-3-1-2-12-24-18)28(21)17-10-6-15(23)7-11-17/h1-12H,13H2,(H,25,29)