4-methyl-5-sulfanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-methyl-5-sulfanyl-cyclohexa-2,4-dien-1-one Openeye Name: 4-methyl-5-sulfanyl-cyclohexa-2,4-dien-1-one CAS Name: 5-mercapto-4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: 4-methyl-5-sulfanylcyclohexa-2,4-dien-1-one Traditional Name: 5-mercapto-4-methyl-cyclohexa-2,4-dien-1-one Formula: C7H8OS MolecularWeight: 140.20282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=O)C=C1)S

Isomeric SMILES

CC1=C(CC(=O)C=C1)S

InChI

InChI=1S/C7H8OS/c1-5-2-3-6(8)4-7(5)9/h2-3,9H,4H2,1H3