3-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanylpropanoate

Systemtic Name: 3-[6-(1-adamantyl)-3-cyano-pyridin-2-yl]sulfanylpropanoate Openeye Name: 3-[[6-(1-adamantyl)-3-cyano-2-pyridyl]sulfanyl]propanoate CAS Name: 3-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]thio]propanoate IUPAC Name: 3-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanylpropanoate Traditional Name: 3-[[6-(1-adamantyl)-3-cyano-2-pyridyl]thio]propionate Formula: C19H21N2O2S- MolecularWeight: 341.44724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCCC(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCCC(=O)[O-]

InChI

InChI=1S/C19H22N2O2S/c20-11-15-1-2-16(21-18(15)24-4-3-17(22)23)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-2,12-14H,3-10H2,(H,22,23)/p-1