1-[2-(phenylmethyl)-1,2,4-triazol-3-yl]pentan-1-one

Systemtic Name: 1-[2-(phenylmethyl)-1,2,4-triazol-3-yl]pentan-1-one Openeye Name: 1-(2-benzyl-1,2,4-triazol-3-yl)pentan-1-one CAS Name: 1-[2-(phenylmethyl)-1,2,4-triazol-3-yl]-1-pentanone IUPAC Name: 1-(2-benzyl-1,2,4-triazol-3-yl)pentan-1-one Traditional Name: 1-(2-benzyl-1,2,4-triazol-3-yl)pentan-1-one Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=NC=NN1CC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)C1=NC=NN1CC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O/c1-2-3-9-13(18)14-15-11-16-17(14)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3