N-(4-cyanophenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-(4-cyanophenyl)-2-pyridin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-(4-cyanophenyl)-2-(2-pyridin-1-iumylthio)acetamide IUPAC Name: N-(4-cyanophenyl)-2-pyridin-1-ium-2-ylsulfanylacetamide Traditional Name: N-(4-cyanophenyl)-2-(pyridin-1-ium-2-ylthio)acetamide Formula: C14H12N3OS+ MolecularWeight: 270.32958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)SCC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=[NH+]C(=C1)SCC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H11N3OS/c15-9-11-4-6-12(7-5-11)17-13(18)10-19-14-3-1-2-8-16-14/h1-8H,10H2,(H,17,18)/p+1