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

Systemtic Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C21H22F2N4OS MolecularWeight: 416.487386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F2N4OS/c1-3-17(4-2)24-19(28)13-29-21-26-25-20(14-5-7-15(22)8-6-14)27(21)18-11-9-16(23)10-12-18/h5-12,17H,3-4,13H2,1-2H3,(H,24,28)