N-cyclooctyl-2-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclooctyl-2-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclooctyl-2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclooctyl-2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclooctyl-2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H29FN4O2S MolecularWeight: 468.586763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4F

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4O2S/c26-21-15-9-10-16-22(21)32-17-23-28-29-25(30(23)20-13-7-4-8-14-20)33-18-24(31)27-19-11-5-2-1-3-6-12-19/h4,7-10,13-16,19H,1-3,5-6,11-12,17-18H2,(H,27,31)