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

Systemtic Name: 4-[2-(3-bromanyl-4-phenylmethoxy-phenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[2-(4-benzyloxy-3-bromo-phenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[2-(3-bromo-4-phenylmethoxyphenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[2-(3-bromo-4-phenylmethoxyphenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[2-(4-benzoxy-3-bromo-phenoxy)ethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C24H20BrN5O2 MolecularWeight: 490.3519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)OCCN(C3=CC=C(C=C3)C#N)N4C=NN=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)OCCN(C3=CC=C(C=C3)C#N)N4C=NN=C4)Br

InChI

InChI=1S/C24H20BrN5O2/c25-23-14-22(10-11-24(23)32-16-20-4-2-1-3-5-20)31-13-12-30(29-17-27-28-18-29)21-8-6-19(15-26)7-9-21/h1-11,14,17-18H,12-13,16H2