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

Systemtic Name: 2-[[4-methyl-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-methyl-5-[5-(2-phenylethynyl)-3-pyridyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-methyl-5-[5-(2-phenylethynyl)-3-pyridinyl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-methyl-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-methyl-5-[5-(2-phenylethynyl)-3-pyridyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C24H19N5OS MolecularWeight: 425.50556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CN=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CN=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C24H19N5OS/c1-29-23(20-14-19(15-25-16-20)13-12-18-8-4-2-5-9-18)27-28-24(29)31-17-22(30)26-21-10-6-3-7-11-21/h2-11,14-16H,17H2,1H3,(H,26,30)