2-[4-(5-bromanyl-1,3-thiazol-2-yl)but-3-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(5-bromanyl-1,3-thiazol-2-yl)but-3-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-(5-bromothiazol-2-yl)but-3-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-(5-bromo-2-thiazolyl)but-3-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-(5-bromo-1,3-thiazol-2-yl)but-3-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-(5-bromothiazol-2-yl)but-3-ynyl]isoindoline-1,3-quinone Formula: C15H9BrN2O2S MolecularWeight: 361.21316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC#CC3=NC=C(S3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC#CC3=NC=C(S3)Br

InChI

InChI=1S/C15H9BrN2O2S/c16-12-9-17-13(21-12)7-3-4-8-18-14(19)10-5-1-2-6-11(10)15(18)20/h1-2,5-6,9H,4,8H2