S-methyl 2-(4-bromophenyl)-2-methylsulfanyl-propanethioate

Systemtic Name: S-methyl 2-(4-bromophenyl)-2-methylsulfanyl-propanethioate Openeye Name: S-methyl 2-(4-bromophenyl)-2-methylsulfanyl-propanethioate CAS Name: 2-(4-bromophenyl)-2-(methylthio)propanethioic acid S-methyl ester IUPAC Name: S-methyl 2-(4-bromophenyl)-2-methylsulfanylpropanethioate Traditional Name: 2-(4-bromophenyl)-2-(methylthio)propanethioic acid S-methyl ester Formula: C11H13BrOS2 MolecularWeight: 305.25432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)(C(=O)SC)SC

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)(C(=O)SC)SC

InChI

InChI=1S/C11H13BrOS2/c1-11(15-3,10(13)14-2)8-4-6-9(12)7-5-8/h4-7H,1-3H3