2-ethylsulfanyl-6-(furan-2-yl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-ethylsulfanyl-6-(furan-2-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-ethylsulfanyl-6-(2-furyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-(ethylthio)-6-(2-furanyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-ethylsulfanyl-6-(furan-2-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-(ethylthio)-6-(2-furyl)pyridin-1-ium-3-carbonitrile Formula: C12H11N2OS+ MolecularWeight: 231.29354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC(=[NH+]1)C2=CC=CO2)C#N

Isomeric SMILES

CCSC1=C(C=CC(=[NH+]1)C2=CC=CO2)C#N

InChI

InChI=1S/C12H10N2OS/c1-2-16-12-9(8-13)5-6-10(14-12)11-4-3-7-15-11/h3-7H,2H2,1H3/p+1