3-[(Z)-1,6-bis(oxidanyl)hex-2-en-4-yn-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[(Z)-1,6-bis(oxidanyl)hex-2-en-4-yn-2-yl]sulfanylpropanenitrile Openeye Name: 3-[(Z)-5-hydroxy-1-(hydroxymethyl)pent-1-en-3-ynyl]sulfanylpropanenitrile CAS Name: 3-[[(Z)-1,6-dihydroxyhex-2-en-4-yn-2-yl]thio]propanenitrile IUPAC Name: 3-[(Z)-1,6-dihydroxyhex-2-en-4-yn-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[(Z)-5-hydroxy-1-methylol-pent-1-en-3-ynyl]thio]propionitrile Formula: C9H11NO2S MolecularWeight: 197.25414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CSC(=CC#CCO)CO)C#N

Isomeric SMILES

C(CS/C(=C\C#CCO)/CO)C#N

InChI

InChI=1S/C9H11NO2S/c10-5-3-7-13-9(8-12)4-1-2-6-11/h4,11-12H,3,6-8H2/b9-4-