2-(3-cyano-6-phenyl-4-pyridin-3-yl-pyridin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-cyano-6-phenyl-4-pyridin-3-yl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[[3-cyano-6-phenyl-4-(3-pyridyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-6-phenyl-4-(3-pyridinyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-(3-cyano-6-phenyl-4-pyridin-3-ylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[[3-cyano-6-phenyl-4-(3-pyridyl)-2-pyridyl]thio]acetic acid Formula: C19H13N3O2S MolecularWeight: 347.39042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CN=CC=C3)C#N)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CN=CC=C3)C#N)SCC(=O)O

InChI

InChI=1S/C19H13N3O2S/c20-10-16-15(14-7-4-8-21-11-14)9-17(13-5-2-1-3-6-13)22-19(16)25-12-18(23)24/h1-9,11H,12H2,(H,23,24)