2-[4-(5-bromanyl-3,4-dimethyl-thieno[2,3-b]thiophen-2-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-(5-bromanyl-3,4-dimethyl-thieno[2,3-b]thiophen-2-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-(5-bromo-3,4-dimethyl-thieno[2,3-b]thiophen-2-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-(5-bromo-3,4-dimethyl-2-thieno[2,3-b]thiophenyl)-2-pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-(5-bromo-3,4-dimethylthieno[2,3-b]thiophen-2-yl)pyrimidin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-(5-bromo-3,4-dimethyl-thieno[2,3-b]thiophen-2-yl)pyrimidin-2-yl]thio]-1-phenyl-ethanone Formula: C20H15BrN2OS3 MolecularWeight: 475.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=C(S2)Br)C)C3=NC(=NC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=C(S2)Br)C)C3=NC(=NC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H15BrN2OS3/c1-11-16-12(2)18(21)27-19(16)26-17(11)14-8-9-22-20(23-14)25-10-15(24)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3