5-tert-butyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one

Systemtic Name: 5-tert-butyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one Openeye Name: 5-tert-butyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one CAS Name: 5-tert-butyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one IUPAC Name: 5-tert-butyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one Traditional Name: 5-tert-butyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one Formula: C13H19N3O MolecularWeight: 233.30946

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC(=O)N(N1)C2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC1(NC(=O)N(N1)C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C13H19N3O/c1-12(2,3)13(4)14-11(17)16(15-13)10-8-6-5-7-9-10/h5-9,15H,1-4H3,(H,14,17)