5-but-3-enyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one

Systemtic Name: 5-but-3-enyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one Openeye Name: 5-but-3-enyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one CAS Name: 5-but-3-enyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one IUPAC Name: 5-but-3-enyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one Traditional Name: 5-but-3-enyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one Formula: C13H17N3O MolecularWeight: 231.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O/c1-3-4-10-13(2)14-12(17)16(15-13)11-8-6-5-7-9-11/h3,5-9,15H,1,4,10H2,2H3,(H,14,17)