S-(4-methylphenyl) 5-bromanyl-3-methyl-1-benzofuran-2-carbothioate

Systemtic Name: S-(4-methylphenyl) 5-bromanyl-3-methyl-1-benzofuran-2-carbothioate Openeye Name: S-(p-tolyl) 5-bromo-3-methyl-benzofuran-2-carbothioate CAS Name: 5-bromo-3-methyl-2-benzofurancarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 5-bromo-3-methyl-1-benzofuran-2-carbothioate Traditional Name: 5-bromo-3-methyl-benzofuran-2-carbothioic acid S-(p-tolyl) ester Formula: C17H13BrO2S MolecularWeight: 361.25292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C17H13BrO2S/c1-10-3-6-13(7-4-10)21-17(19)16-11(2)14-9-12(18)5-8-15(14)20-16/h3-9H,1-2H3