2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Systemtic Name: 2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Openeye Name: 2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile CAS Name: 2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile IUPAC Name: 2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Traditional Name: 2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)butyronitrile Formula: C13H13BrN4 MolecularWeight: 305.17312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H13BrN4/c1-2-13(7-15,8-18-10-16-9-17-18)11-3-5-12(14)6-4-11/h3-6,9-10H,2,8H2,1H3