2-phenyl-5-propyl-1H-1,2,4-triazol-3-one

Systemtic Name: 2-phenyl-5-propyl-1H-1,2,4-triazol-3-one Openeye Name: 2-phenyl-5-propyl-1H-1,2,4-triazol-3-one CAS Name: 2-phenyl-5-propyl-1H-1,2,4-triazol-3-one IUPAC Name: 2-phenyl-5-propyl-1H-1,2,4-triazol-3-one Traditional Name: 2-phenyl-5-propyl-1H-1,2,4-triazol-3-one Formula: C11H13N3O MolecularWeight: 203.24042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CCCC1=NC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C11H13N3O/c1-2-6-10-12-11(15)14(13-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,12,13,15)