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

Systemtic Name: propan-2-yl 2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylethanoate Openeye Name: isopropyl 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]acetic acid isopropyl ester Formula: C16H14N4O3S MolecularWeight: 342.37236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)C#N

Isomeric SMILES

CC(C)OC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)C#N

InChI

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