ethyl 6-azanyl-2-[(6-azanyl-3,5-dicyano-4-thiophen-2-yl-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-thiophen-2-yl-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-(2-thienyl)-2-pyridyl]sulfanylmethyl]-5-cyano-4-(2-thienyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-2-[[(6-amino-3,5-dicyano-4-thiophen-2-yl-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-thiophen-2-ylpyridin-2-yl)sulfanylmethyl]-5-cyano-4-thiophen-2-yl-4H-pyran-3-carboxylate Traditional Name: 6-amino-2-[[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]methyl]-5-cyano-4-(2-thienyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H18N6O3S3 MolecularWeight: 546.64382

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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=CS4)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=CS4)C#N

InChI

InChI=1S/C25H18N6O3S3/c1-2-33-25(32)21-16(34-23(30)14(10-27)20(21)18-6-4-8-36-18)12-37-24-15(11-28)19(17-5-3-7-35-17)13(9-26)22(29)31-24/h3-8,20H,2,12,30H2,1H3,(H2,29,31)