4-butyl-3-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-benzyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzyl-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-benzyl-4-butyl-1H-1,2,4-triazol-5-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=NNC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H17N3O/c1-2-3-9-16-12(14-15-13(16)17)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,17)