3-[3-[2-(3-bromophenyl)ethyl]-1,2,4-triazol-1-yl]-2-phenyl-propanenitrile

Systemtic Name: 3-[3-[2-(3-bromophenyl)ethyl]-1,2,4-triazol-1-yl]-2-phenyl-propanenitrile Openeye Name: 3-[3-[2-(3-bromophenyl)ethyl]-1,2,4-triazol-1-yl]-2-phenyl-propanenitrile CAS Name: 3-[3-[2-(3-bromophenyl)ethyl]-1,2,4-triazol-1-yl]-2-phenylpropanenitrile IUPAC Name: 3-[3-[2-(3-bromophenyl)ethyl]-1,2,4-triazol-1-yl]-2-phenylpropanenitrile Traditional Name: 3-[3-[2-(3-bromophenyl)ethyl]-1,2,4-triazol-1-yl]-2-phenyl-propionitrile Formula: C19H17BrN4 MolecularWeight: 381.26908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN2C=NC(=N2)CCC3=CC(=CC=C3)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CN2C=NC(=N2)CCC3=CC(=CC=C3)Br)C#N

InChI

InChI=1S/C19H17BrN4/c20-18-8-4-5-15(11-18)9-10-19-22-14-24(23-19)13-17(12-21)16-6-2-1-3-7-16/h1-8,11,14,17H,9-10,13H2