2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)ethanamide

Systemtic Name: 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)ethanamide Openeye Name: 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,1,3,3-tetramethylbutyl)acetamide CAS Name: 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2,4,4-trimethylpentan-2-yl)acetamide IUPAC Name: 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide Traditional Name: 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1,1,3,3-tetramethylbutyl)acetamide Formula: C24H29FN4OS MolecularWeight: 440.576663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C24H29FN4OS/c1-23(2,3)16-24(4,5)26-20(30)15-31-22-28-27-21(17-10-9-11-18(25)14-17)29(22)19-12-7-6-8-13-19/h6-14H,15-16H2,1-5H3,(H,26,30)