2-(2-tert-butyl-3,3-dimethyl-butyl)-4-(4-methylphenyl)-1,2,4-triazol-3-one

Systemtic Name: 2-(2-tert-butyl-3,3-dimethyl-butyl)-4-(4-methylphenyl)-1,2,4-triazol-3-one Openeye Name: 2-(2-tert-butyl-3,3-dimethyl-butyl)-4-(p-tolyl)-1,2,4-triazol-3-one CAS Name: 2-(2-tert-butyl-3,3-dimethylbutyl)-4-(4-methylphenyl)-1,2,4-triazol-3-one IUPAC Name: 2-(2-tert-butyl-3,3-dimethylbutyl)-4-(4-methylphenyl)-1,2,4-triazol-3-one Traditional Name: 2-(2-tert-butyl-3,3-dimethyl-butyl)-4-(p-tolyl)-1,2,4-triazol-3-one Formula: C19H29N3O MolecularWeight: 315.45306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN(C2=O)CC(C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN(C2=O)CC(C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C19H29N3O/c1-14-8-10-15(11-9-14)21-13-20-22(17(21)23)12-16(18(2,3)4)19(5,6)7/h8-11,13,16H,12H2,1-7H3