4-(4-bromanylphenoxy)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Systemtic Name: 4-(4-bromanylphenoxy)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Openeye Name: 4-(4-bromophenoxy)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile CAS Name: 4-(4-bromophenoxy)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile IUPAC Name: 4-(4-bromophenoxy)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Traditional Name: 4-(4-bromophenoxy)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butyronitrile Formula: C19H17BrN4O MolecularWeight: 397.26848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCOC2=CC=C(C=C2)Br)(CN3C=NC=N3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCOC2=CC=C(C=C2)Br)(CN3C=NC=N3)C#N

InChI

InChI=1S/C19H17BrN4O/c20-17-6-8-18(9-7-17)25-11-10-19(12-21,13-24-15-22-14-23-24)16-4-2-1-3-5-16/h1-9,14-15H,10-11,13H2