2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

Systemtic Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C15H18N4 MolecularWeight: 254.33022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C15H18N4/c1-2-3-9-15(10-16,11-19-13-17-12-18-19)14-7-5-4-6-8-14/h4-8,12-13H,2-3,9,11H2,1H3