2-[[1-(4-chlorophenyl)-3H-1,2,4-triazol-2-yl]methyl]hexanal

Systemtic Name: 2-[[1-(4-chlorophenyl)-3H-1,2,4-triazol-2-yl]methyl]hexanal Openeye Name: 2-[[1-(4-chlorophenyl)-3H-1,2,4-triazol-2-yl]methyl]hexanal CAS Name: 2-[[1-(4-chlorophenyl)-3H-1,2,4-triazol-2-yl]methyl]hexanal IUPAC Name: 2-[[1-(4-chlorophenyl)-3H-1,2,4-triazol-2-yl]methyl]hexanal Traditional Name: 2-[[1-(4-chlorophenyl)-3H-1,2,4-triazol-2-yl]methyl]hexanal Formula: C15H20ClN3O MolecularWeight: 293.7918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1CN=CN1C2=CC=C(C=C2)Cl)C=O

Isomeric SMILES

CCCCC(CN1CN=CN1C2=CC=C(C=C2)Cl)C=O

InChI

InChI=1S/C15H20ClN3O/c1-2-3-4-13(10-20)9-18-11-17-12-19(18)15-7-5-14(16)6-8-15/h5-8,10,12-13H,2-4,9,11H2,1H3