4-[(3-fluoranyl-4-oxidanyl-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(3-fluoranyl-4-oxidanyl-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(3-fluoro-4-hydroxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[(3-fluoro-4-hydroxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(3-fluoro-4-hydroxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(3-fluoro-4-hydroxy-benzyl)-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C16H12FN5O MolecularWeight: 309.297783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)O)F)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)O)F)N3C=NN=C3

InChI

InChI=1S/C16H12FN5O/c17-15-7-13(3-6-16(15)23)9-22(21-10-19-20-11-21)14-4-1-12(8-18)2-5-14/h1-7,10-11,23H,9H2