2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-3-prop-2-enyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-3-prop-2-enyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(4-bromophenyl)sulfonylethylsulfanyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[2-(4-bromophenyl)sulfonylethylthio]-3-prop-2-enyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-3-prop-2-enylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(2-brosylethylthio)thieno[3,2-d]pyrimidin-4-one Formula: C17H15BrN2O3S3 MolecularWeight: 471.4116

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CS2)N=C1SCCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CS2)N=C1SCCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN2O3S3/c1-2-8-20-16(21)15-14(7-9-24-15)19-17(20)25-10-11-26(22,23)13-5-3-12(18)4-6-13/h2-7,9H,1,8,10-11H2