ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-thiopyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-thiopyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)sulfanylmethyl]-4-phenyl-4H-thiopyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]methyl]-4-phenyl-4H-thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-thiopyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-6-ethyl-5-methyl-2-pyridyl)thio]methyl]-4-phenyl-4H-thiopyran-3-carboxylic acid ethyl ester Formula: C25H24N4O2S2 MolecularWeight: 476.61366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC2=C(C(C(=C(S2)N)C#N)C3=CC=CC=C3)C(=O)OCC)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC2=C(C(C(=C(S2)N)C#N)C3=CC=CC=C3)C(=O)OCC)C#N)C

InChI

InChI=1S/C25H24N4O2S2/c1-4-19-15(3)11-17(12-26)24(29-19)32-14-20-22(25(30)31-5-2)21(16-9-7-6-8-10-16)18(13-27)23(28)33-20/h6-11,21H,4-5,14,28H2,1-3H3