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

Systemtic Name: 2-[[4-methyl-5-(5-oct-1-ynylpyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-methyl-5-(5-oct-1-ynyl-3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-methyl-5-(5-oct-1-ynyl-3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-methyl-5-(5-oct-1-ynylpyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-methyl-5-(5-oct-1-ynyl-3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=CN=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCC#CC1=CC(=CN=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H27N5OS/c1-3-4-5-6-7-9-12-19-15-20(17-25-16-19)23-27-28-24(29(23)2)31-18-22(30)26-21-13-10-8-11-14-21/h8,10-11,13-17H,3-7,18H2,1-2H3,(H,26,30)