4-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4F

InChI

InChI=1S/C25H22FN3O2S/c26-21-14-7-8-16-23(21)31-18-24-27-28-25(29(24)20-12-5-2-6-13-20)32-17-9-15-22(30)19-10-3-1-4-11-19/h1-8,10-14,16H,9,15,17-18H2