1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C20H16BrN3OS2 MolecularWeight: 458.39454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H16BrN3OS2/c1-12-9-17(13(2)24(12)15-5-3-14(21)4-6-15)18(25)10-27-20-16-7-8-26-19(16)22-11-23-20/h3-9,11H,10H2,1-2H3