3,5-dimethyl-4-(sulfanylmethylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 3,5-dimethyl-4-(sulfanylmethylidene)cyclohexa-2,5-dien-1-one Openeye Name: 3,5-dimethyl-4-(sulfanylmethylene)cyclohexa-2,5-dien-1-one CAS Name: 4-(mercaptomethylidene)-3,5-dimethyl-1-cyclohexa-2,5-dienone IUPAC Name: 3,5-dimethyl-4-(sulfanylmethylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(mercaptomethylene)-3,5-dimethyl-cyclohexa-2,5-dien-1-one Formula: C9H10OS MolecularWeight: 166.2401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10OS/c1-6-3-8(10)4-7(2)9(6)5-11/h3-5,11H,1-2H3