1-methyl-3-sulfanyl-1H-2-benzofuran-4-one

Systemtic Name: 1-methyl-3-sulfanyl-1H-2-benzofuran-4-one Openeye Name: 1-methyl-3-sulfanyl-1H-isobenzofuran-4-one CAS Name: 3-mercapto-1-methyl-1H-isobenzofuran-4-one IUPAC Name: 1-methyl-3-sulfanyl-1H-2-benzofuran-4-one Traditional Name: 3-mercapto-1-methyl-1H-isobenzofuran-4-one Formula: C9H8O2S MolecularWeight: 180.22362

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC(=O)C2=C(O1)S

Isomeric SMILES

CC1C2=CC=CC(=O)C2=C(O1)S

InChI

InChI=1S/C9H8O2S/c1-5-6-3-2-4-7(10)8(6)9(12)11-5/h2-5,12H,1H3