4-[2-(3-bromanyl-4-oxidanyl-phenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[2-(3-bromanyl-4-oxidanyl-phenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[2-(3-bromo-4-hydroxy-phenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[2-(3-bromo-4-hydroxyphenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[2-(3-bromo-4-hydroxyphenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[2-(3-bromo-4-hydroxy-phenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C17H14BrN5O2 MolecularWeight: 400.22936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CCOC2=CC(=C(C=C2)O)Br)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CCOC2=CC(=C(C=C2)O)Br)N3C=NN=C3

InChI

InChI=1S/C17H14BrN5O2/c18-16-9-15(5-6-17(16)24)25-8-7-23(22-11-20-21-12-22)14-3-1-13(10-19)2-4-14/h1-6,9,11-12,24H,7-8H2