2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(4-nitrophenyl)ethanone Openeye Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(4-nitrophenyl)ethanone CAS Name: 2-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(4-nitrophenyl)ethanone Traditional Name: 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]-1-(4-nitrophenyl)ethanone Formula: C20H12BrN3O3S2 MolecularWeight: 486.36158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C20H12BrN3O3S2/c21-14-5-1-12(2-6-14)16-9-28-19-18(16)20(23-11-22-19)29-10-17(25)13-3-7-15(8-4-13)24(26)27/h1-9,11H,10H2