4-(4-octylphenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(4-octylphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-octylphenyl)-1H-1,2,4-triazol-5-one CAS Name: 4-(4-octylphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-(4-octylphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-octylphenyl)-1H-1,2,4-triazol-5-one Formula: C16H23N3O MolecularWeight: 273.37332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N2C=NNC2=O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N2C=NNC2=O

InChI

InChI=1S/C16H23N3O/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-13-17-18-16(19)20/h9-13H,2-8H2,1H3,(H,18,20)