2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]hexanenitrile

Systemtic Name: 2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]hexanenitrile Openeye Name: 2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]hexanenitrile CAS Name: 2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]hexanenitrile IUPAC Name: 2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]hexanenitrile Traditional Name: 2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]hexanenitrile Formula: C15H17ClN4 MolecularWeight: 288.77528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#N)C(C1=CC=C(C=C1)Cl)N2C=NC=N2

Isomeric SMILES

CCCCC(C#N)C(C1=CC=C(C=C1)Cl)N2C=NC=N2

InChI

InChI=1S/C15H17ClN4/c1-2-3-4-13(9-17)15(20-11-18-10-19-20)12-5-7-14(16)8-6-12/h5-8,10-11,13,15H,2-4H2,1H3