3-bromanyl-4-[2-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)-1H-indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-bromanyl-4-[2-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)-1H-indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-bromo-4-[2-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)-1H-indol-3-yl]pyrrole-2,5-dione CAS Name: 3-bromo-4-[2-[3-methyl-2-(phenylthio)-4-imidazolyl]-1H-indol-3-yl]pyrrole-2,5-dione IUPAC Name: 3-bromo-4-[2-(3-methyl-2-phenylsulfanylimidazol-4-yl)-1H-indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-bromo-4-[2-[3-methyl-2-(phenylthio)imidazol-4-yl]-1H-indol-3-yl]-3-pyrroline-2,5-quinone Formula: C22H15BrN4O2S MolecularWeight: 479.3491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC2=CC=CC=C2)C3=C(C4=CC=CC=C4N3)C5=C(C(=O)NC5=O)Br

Isomeric SMILES

CN1C(=CN=C1SC2=CC=CC=C2)C3=C(C4=CC=CC=C4N3)C5=C(C(=O)NC5=O)Br

InChI

InChI=1S/C22H15BrN4O2S/c1-27-15(11-24-22(27)30-12-7-3-2-4-8-12)19-16(13-9-5-6-10-14(13)25-19)17-18(23)21(29)26-20(17)28/h2-11,25H,1H3,(H,26,28,29)