2-(4-bromophenyl)-2-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile

Systemtic Name: 2-(4-bromophenyl)-2-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile Openeye Name: 2-(4-bromophenyl)-2-(3-pyridylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile CAS Name: 2-(4-bromophenyl)-2-(3-pyridinylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile IUPAC Name: 2-(4-bromophenyl)-2-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile Traditional Name: 2-(4-bromophenyl)-2-(3-pyridylmethyl)-3-(1,2,4-triazol-1-yl)propionitrile Formula: C17H14BrN5 MolecularWeight: 368.23056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN5/c18-16-5-3-15(4-6-16)17(10-19,11-23-13-21-12-22-23)8-14-2-1-7-20-9-14/h1-7,9,12-13H,8,11H2