3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]thian-4-one

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]thian-4-one Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]tetrahydrothiopyran-4-one CAS Name: 3-[2-(4-bromophenyl)-2-oxoethyl]-4-thianone IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethyl]thian-4-one Traditional Name: 3-[2-(4-bromophenyl)-2-keto-ethyl]tetrahydrothiopyran-4-one Formula: C13H13BrO2S MolecularWeight: 313.21012

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C1=O)CC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CSCC(C1=O)CC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H13BrO2S/c14-11-3-1-9(2-4-11)13(16)7-10-8-17-6-5-12(10)15/h1-4,10H,5-8H2