(E)-2-cyano-3-methylsulfanyl-3-(pyridin-3-ylamino)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-methylsulfanyl-3-(pyridin-3-ylamino)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-methylsulfanyl-3-(3-pyridylamino)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(methylthio)-3-(3-pyridinylamino)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-methylsulfanyl-3-(pyridin-3-ylamino)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(methylthio)-3-(3-pyridylamino)acrylic acid Formula: C10H9N3O2S MolecularWeight: 235.26236

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)O)NC1=CN=CC=C1

Isomeric SMILES

CS/C(=C(\C#N)/C(=O)O)/NC1=CN=CC=C1

InChI

InChI=1S/C10H9N3O2S/c1-16-9(8(5-11)10(14)15)13-7-3-2-4-12-6-7/h2-4,6,13H,1H3,(H,14,15)/b9-8+