5-(4-tert-butylphenyl)-2-methyl-1H-1,2,4-triazol-3-one

Systemtic Name: 5-(4-tert-butylphenyl)-2-methyl-1H-1,2,4-triazol-3-one Openeye Name: 5-(4-tert-butylphenyl)-2-methyl-1H-1,2,4-triazol-3-one CAS Name: 5-(4-tert-butylphenyl)-2-methyl-1H-1,2,4-triazol-3-one IUPAC Name: 5-(4-tert-butylphenyl)-2-methyl-1H-1,2,4-triazol-3-one Traditional Name: 5-(4-tert-butylphenyl)-2-methyl-1H-1,2,4-triazol-3-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=O)N(N2)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=O)N(N2)C

InChI

InChI=1S/C13H17N3O/c1-13(2,3)10-7-5-9(6-8-10)11-14-12(17)16(4)15-11/h5-8H,1-4H3,(H,14,15,17)