2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide

Systemtic Name: 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylbutyl)acetamide CAS Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide Traditional Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(1-methylbutyl)acetamide Formula: C24H31N5OS MolecularWeight: 437.60084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1C2=C(C=CC=C2CC)CC)C3=CN=CC=C3

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NN=C(N1C2=C(C=CC=C2CC)CC)C3=CN=CC=C3

InChI

InChI=1S/C24H31N5OS/c1-5-10-17(4)26-21(30)16-31-24-28-27-23(20-13-9-14-25-15-20)29(24)22-18(6-2)11-8-12-19(22)7-3/h8-9,11-15,17H,5-7,10,16H2,1-4H3,(H,26,30)