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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C19H20BrN5OS MolecularWeight: 446.364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CN=CC=C3

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CN=CC=C3

InChI

InChI=1S/C19H20BrN5OS/c1-3-24(4-2)17(26)13-27-19-23-22-18(14-6-5-11-21-12-14)25(19)16-9-7-15(20)8-10-16/h5-12H,3-4,13H2,1-2H3