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

Systemtic Name: (E)-3-[2,4-bis(propylsulfanyl)phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[2,4-bis(propylsulfanyl)phenyl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[2,4-bis(propylthio)phenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[2,4-bis(propylsulfanyl)phenyl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[2,4-bis(propylthio)phenyl]-2-cyano-acrylic acid Formula: C16H19NO2S2 MolecularWeight: 321.45756

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)C=C(C#N)C(=O)O)SCCC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)/C=C(\C#N)/C(=O)O)SCCC

InChI

InChI=1S/C16H19NO2S2/c1-3-7-20-14-6-5-12(9-13(11-17)16(18)19)15(10-14)21-8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19)/b13-9+