4-[(E)-hexylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[(E)-hexylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-benzyl-4-[(E)-hexylideneamino]-1H-1,2,4-triazol-5-one CAS Name: 4-[(E)-hexylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzyl-4-[(E)-hexylideneamino]-1H-1,2,4-triazol-5-one Traditional Name: 3-benzyl-4-[(E)-hexylideneamino]-1H-1,2,4-triazol-5-one Formula: C15H20N4O MolecularWeight: 272.3455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=NN1C(=NNC1=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCC/C=N/N1C(=NNC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H20N4O/c1-2-3-4-8-11-16-19-14(17-18-15(19)20)12-13-9-6-5-7-10-13/h5-7,9-11H,2-4,8,12H2,1H3,(H,18,20)/b16-11+