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

Systemtic Name: 5-butyl-2-phenyl-1H-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-phenyl-1H-1,2,4-triazol-3-one CAS Name: 5-butyl-2-phenyl-1H-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-phenyl-1H-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-phenyl-1H-1,2,4-triazol-3-one Formula: C12H15N3O MolecularWeight: 217.267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=NC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C12H15N3O/c1-2-3-9-11-13-12(16)15(14-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,14,16)