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

Systemtic Name: 4-[(E)-hexylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 4-[(E)-hexylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one CAS Name: 4-[(E)-hexylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 4-[(E)-hexylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 4-[(E)-hexylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one Formula: C14H18N4O MolecularWeight: 258.31892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O/c1-2-3-4-8-11-15-18-13(16-17-14(18)19)12-9-6-5-7-10-12/h5-7,9-11H,2-4,8H2,1H3,(H,17,19)/b15-11+