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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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