2-[(Z)-1-cyanobut-1-enyl]sulfanylbut-3-ynoic acid

Systemtic Name: 2-[(Z)-1-cyanobut-1-enyl]sulfanylbut-3-ynoic acid Openeye Name: 2-[(Z)-1-cyanobut-1-enyl]sulfanylbut-3-ynoic acid CAS Name: 2-[[(Z)-1-cyanobut-1-enyl]thio]-3-butynoic acid IUPAC Name: 2-[(Z)-1-cyanobut-1-enyl]sulfanylbut-3-ynoic acid Traditional Name: 2-[[(Z)-1-cyanobut-1-enyl]thio]but-3-ynoic acid Formula: C9H9NO2S MolecularWeight: 195.23826

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C#N)SC(C#C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2S/c1-3-5-7(6-10)13-8(4-2)9(11)12/h2,5,8H,3H2,1H3,(H,11,12)/b7-5-