4-[bis(methylsulfanyl)methylidene]-2,3-dihydro-1-benzothiepin-5-one

Systemtic Name: 4-[bis(methylsulfanyl)methylidene]-2,3-dihydro-1-benzothiepin-5-one Openeye Name: 4-[bis(methylsulfanyl)methylene]-2,3-dihydro-1-benzothiepin-5-one CAS Name: 4-[bis(methylthio)methylidene]-2,3-dihydro-1-benzothiepin-5-one IUPAC Name: 4-[bis(methylsulfanyl)methylidene]-2,3-dihydro-1-benzothiepin-5-one Traditional Name: 4-[bis(methylthio)methylene]-2,3-dihydro-1-benzothiepin-5-one Formula: C13H14OS3 MolecularWeight: 282.44466

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C1CCSC2=CC=CC=C2C1=O)SC

Isomeric SMILES

CSC(=C1CCSC2=CC=CC=C2C1=O)SC

InChI

InChI=1S/C13H14OS3/c1-15-13(16-2)10-7-8-17-11-6-4-3-5-9(11)12(10)14/h3-6H,7-8H2,1-2H3