4-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H17FN4OS MolecularWeight: 416.470683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC4=CC=CC=C4F

InChI

InChI=1S/C23H17FN4OS/c24-20-8-4-5-9-21(20)29-15-22-26-27-23(28(22)19-6-2-1-3-7-19)30-16-18-12-10-17(14-25)11-13-18/h1-13H,15-16H2