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

Systemtic Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C22H16F2N4OS MolecularWeight: 422.450446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16F2N4OS/c23-16-8-6-15(7-9-16)21-26-27-22(28(21)19-12-10-17(24)11-13-19)30-14-20(29)25-18-4-2-1-3-5-18/h1-13H,14H2,(H,25,29)