S-propyl 3-bromanyl-2,6-dimethyl-benzenecarbothioate

Systemtic Name: S-propyl 3-bromanyl-2,6-dimethyl-benzenecarbothioate Openeye Name: S-propyl 3-bromo-2,6-dimethyl-benzenecarbothioate CAS Name: 3-bromo-2,6-dimethylbenzenecarbothioic acid S-propyl ester IUPAC Name: S-propyl 3-bromo-2,6-dimethylbenzenecarbothioate Traditional Name: 3-bromo-2,6-dimethyl-thiobenzoic acid S-propyl ester Formula: C12H15BrOS MolecularWeight: 287.2159

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)C1=C(C=CC(=C1C)Br)C

Isomeric SMILES

CCCSC(=O)C1=C(C=CC(=C1C)Br)C

InChI

InChI=1S/C12H15BrOS/c1-4-7-15-12(14)11-8(2)5-6-10(13)9(11)3/h5-6H,4,7H2,1-3H3