(4E)-1-(3-bromophenyl)-4-(thiophen-2-ylmethylidene)pyrazolidine-3,5-dione

Systemtic Name: (4E)-1-(3-bromophenyl)-4-(thiophen-2-ylmethylidene)pyrazolidine-3,5-dione Openeye Name: (4E)-1-(3-bromophenyl)-4-(2-thienylmethylene)pyrazolidine-3,5-dione CAS Name: (4E)-1-(3-bromophenyl)-4-(thiophen-2-ylmethylidene)pyrazolidine-3,5-dione IUPAC Name: (4E)-1-(3-bromophenyl)-4-(thiophen-2-ylmethylidene)pyrazolidine-3,5-dione Traditional Name: (4E)-1-(3-bromophenyl)-4-(2-thenylidene)pyrazolidine-3,5-quinone Formula: C14H9BrN2O2S MolecularWeight: 349.20246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C(=O)C(=CC3=CC=CS3)C(=O)N2

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=CS3)/C(=O)N2

InChI

InChI=1S/C14H9BrN2O2S/c15-9-3-1-4-10(7-9)17-14(19)12(13(18)16-17)8-11-5-2-6-20-11/h1-8H,(H,16,18)/b12-8+