2-(3-cyano-4-pyrrolidin-1-yl-pyridin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-cyano-4-pyrrolidin-1-yl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3-cyano-4-pyrrolidin-1-yl-2-pyridyl)sulfanyl]acetic acid CAS Name: 2-[[3-cyano-4-(1-pyrrolidinyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-(3-cyano-4-pyrrolidin-1-ylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-cyano-4-pyrrolidino-2-pyridyl)thio]acetic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC=C2)SCC(=O)O)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC=C2)SCC(=O)O)C#N

InChI

InChI=1S/C12H13N3O2S/c13-7-9-10(15-5-1-2-6-15)3-4-14-12(9)18-8-11(16)17/h3-4H,1-2,5-6,8H2,(H,16,17)