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

Systemtic Name: 4-[[4-azanyl-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-amino-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C17H14FN5OS MolecularWeight: 355.389363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC2=NN=C(N2N)SCC3=CC=C(C=C3)C#N)F

Isomeric SMILES

C1=CC=C(C(=C1)OCC2=NN=C(N2N)SCC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C17H14FN5OS/c18-14-3-1-2-4-15(14)24-10-16-21-22-17(23(16)20)25-11-13-7-5-12(9-19)6-8-13/h1-8H,10-11,20H2