2-[4-[1-(3-phenyl-1H-1,2,4-triazol-5-yl)ethoxy]phenyl]butanenitrile

Systemtic Name: 2-[4-[1-(3-phenyl-1H-1,2,4-triazol-5-yl)ethoxy]phenyl]butanenitrile Openeye Name: 2-[4-[1-(3-phenyl-1H-1,2,4-triazol-5-yl)ethoxy]phenyl]butanenitrile CAS Name: 2-[4-[1-(3-phenyl-1H-1,2,4-triazol-5-yl)ethoxy]phenyl]butanenitrile IUPAC Name: 2-[4-[1-(3-phenyl-1H-1,2,4-triazol-5-yl)ethoxy]phenyl]butanenitrile Traditional Name: 2-[4-[1-(3-phenyl-1H-1,2,4-triazol-5-yl)ethoxy]phenyl]butyronitrile Formula: C20H20N4O MolecularWeight: 332.399

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C1=CC=C(C=C1)OC(C)C2=NC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CCC(C#N)C1=CC=C(C=C1)OC(C)C2=NC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O/c1-3-15(13-21)16-9-11-18(12-10-16)25-14(2)19-22-20(24-23-19)17-7-5-4-6-8-17/h4-12,14-15H,3H2,1-2H3,(H,22,23,24)