2,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one

Systemtic Name: 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one Openeye Name: 4-(4-isopropylphenyl)-2,5-dimethyl-1,2,4-triazol-3-one CAS Name: 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one IUPAC Name: 2,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one Traditional Name: 2,5-dimethyl-4-p-cumenyl-1,2,4-triazol-3-one Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)C)C

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)C)C

InChI

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