1-(4-bromophenyl)-4-thieno[3,2-d]pyrimidin-4-ylsulfanyl-butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-thieno[3,2-d]pyrimidin-4-ylsulfanyl-butan-1-one Openeye Name: 1-(4-bromophenyl)-4-thieno[3,2-d]pyrimidin-4-ylsulfanyl-butan-1-one CAS Name: 1-(4-bromophenyl)-4-(4-thieno[3,2-d]pyrimidinylthio)-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-thieno[3,2-d]pyrimidin-4-ylsulfanylbutan-1-one Traditional Name: 1-(4-bromophenyl)-4-(thieno[3,2-d]pyrimidin-4-ylthio)butan-1-one Formula: C16H13BrN2OS2 MolecularWeight: 393.32122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCSC2=NC=NC3=C2SC=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCSC2=NC=NC3=C2SC=C3)Br

InChI

InChI=1S/C16H13BrN2OS2/c17-12-5-3-11(4-6-12)14(20)2-1-8-22-16-15-13(7-9-21-15)18-10-19-16/h3-7,9-10H,1-2,8H2