ethyl 6-azanyl-2-[[6-azanyl-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanylmethyl]-5-cyano-4-thiophen-2-yl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-2-[[6-azanyl-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanylmethyl]-5-cyano-4-thiophen-2-yl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridyl]sulfanylmethyl]-5-cyano-4-(2-thienyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-2-[[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]thio]methyl]-5-cyano-4-thiophen-2-yl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanylmethyl]-5-cyano-4-thiophen-2-yl-4H-pyran-3-carboxylate Traditional Name: 6-amino-2-[[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridyl]thio]methyl]-5-cyano-4-(2-thienyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C27H19FN6O3S2 MolecularWeight: 558.606563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)CSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)CSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C27H19FN6O3S2/c1-2-36-27(35)23-19(37-25(33)17(11-30)22(23)20-4-3-9-38-20)13-39-26-18(12-31)21(16(10-29)24(32)34-26)14-5-7-15(28)8-6-14/h3-9,22H,2,13,33H2,1H3,(H2,32,34)