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

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylbutyl)acetamide CAS Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide Traditional Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-methylbutyl)acetamide Formula: C21H23FN4OS MolecularWeight: 398.496923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4OS/c1-3-7-15(2)23-19(27)14-28-21-25-24-20(16-10-12-17(22)13-11-16)26(21)18-8-5-4-6-9-18/h4-6,8-13,15H,3,7,14H2,1-2H3,(H,23,27)