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

Systemtic Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-ethanamide Openeye Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-acetamide Formula: C21H20F2N4OS MolecularWeight: 414.471506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20F2N4OS/c22-15-7-5-14(6-8-15)20-25-26-21(27(20)18-11-9-16(23)10-12-18)29-13-19(28)24-17-3-1-2-4-17/h5-12,17H,1-4,13H2,(H,24,28)