2-(4-bromophenyl)-5-methyl-5-(3-methylbutyl)-1,2,4-triazolidin-3-one

Systemtic Name: 2-(4-bromophenyl)-5-methyl-5-(3-methylbutyl)-1,2,4-triazolidin-3-one Openeye Name: 2-(4-bromophenyl)-5-isopentyl-5-methyl-1,2,4-triazolidin-3-one CAS Name: 2-(4-bromophenyl)-5-methyl-5-(3-methylbutyl)-1,2,4-triazolidin-3-one IUPAC Name: 2-(4-bromophenyl)-5-methyl-5-(3-methylbutyl)-1,2,4-triazolidin-3-one Traditional Name: 2-(4-bromophenyl)-5-isoamyl-5-methyl-1,2,4-triazolidin-3-one Formula: C14H20BrN3O MolecularWeight: 326.2321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(NC(=O)N(N1)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC(C)CCC1(NC(=O)N(N1)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C14H20BrN3O/c1-10(2)8-9-14(3)16-13(19)18(17-14)12-6-4-11(15)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,16,19)