(E)-3-[2,4-bis(methylsulfanyl)phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[2,4-bis(methylsulfanyl)phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[2,4-bis(methylsulfanyl)phenyl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[2,4-bis(methylthio)phenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[2,4-bis(methylsulfanyl)phenyl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[2,4-bis(methylthio)phenyl]-2-cyano-acrylic acid Formula: C12H11NO2S2 MolecularWeight: 265.35124

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)C=C(C#N)C(=O)O)SC

Isomeric SMILES

CSC1=CC(=C(C=C1)/C=C(\C#N)/C(=O)O)SC

InChI

InChI=1S/C12H11NO2S2/c1-16-10-4-3-8(11(6-10)17-2)5-9(7-13)12(14)15/h3-6H,1-2H3,(H,14,15)/b9-5+