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

Systemtic Name: 2-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(p-tolyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-(p-tolyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C16H20N4 MolecularWeight: 268.3568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4/c1-3-4-9-16(10-17,11-20-13-18-12-19-20)15-7-5-14(2)6-8-15/h5-8,12-13H,3-4,9,11H2,1-2H3