propyl 2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-1-ium-2-yl]sulfanylethanoate

Systemtic Name: propyl 2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: propyl 2-[6-amino-3,5-dicyano-4-(2-furyl)pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridin-1-iumyl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)pyridin-1-ium-2-yl]thio]acetic acid propyl ester Formula: C16H15N4O3S+ MolecularWeight: 343.3803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CO2)C#N

Isomeric SMILES

CCCOC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CO2)C#N

InChI

InChI=1S/C16H14N4O3S/c1-2-5-23-13(21)9-24-16-11(8-18)14(12-4-3-6-22-12)10(7-17)15(19)20-16/h3-4,6H,2,5,9H2,1H3,(H2,19,20)/p+1