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

Systemtic Name: 3-methyl-4-(4-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-isopropylphenyl)-3-methyl-1H-1,2,4-triazol-5-one CAS Name: 3-methyl-4-(4-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-methyl-4-(4-propan-2-ylphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-methyl-4-p-cumenyl-1H-1,2,4-triazol-5-one Formula: C12H15N3O MolecularWeight: 217.267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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