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

Systemtic Name: 5-(4-tert-butylphenyl)-1,2-dihydro-1,2,4-triazol-3-one Openeye Name: 5-(4-tert-butylphenyl)-1,2-dihydro-1,2,4-triazol-3-one CAS Name: 5-(4-tert-butylphenyl)-1,2-dihydro-1,2,4-triazol-3-one IUPAC Name: 5-(4-tert-butylphenyl)-1,2-dihydro-1,2,4-triazol-3-one Traditional Name: 5-(4-tert-butylphenyl)-1,2-dihydro-1,2,4-triazol-3-one Formula: C12H15N3O MolecularWeight: 217.267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=O)NN2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=O)NN2

InChI

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