5-(2-methylpropyl)-2-phenyl-1H-1,2,4-triazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC1=NC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C12H15N3O/c1-9(2)8-11-13-12(16)15(14-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14,16)