ethanol; ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-phenyl-pyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate

Systemtic Name: ethanol; ethyl 6-azanyl-5-cyano-2-[(3-cyano-6-phenyl-pyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate Openeye Name: ethanol; ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridyl)sulfanylmethyl]-4-(3-pyridyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-phenyl-2-pyridinyl)thio]methyl]-4-(3-pyridinyl)-4H-pyran-3-carboxylic acid ethyl ester; ethanol IUPAC Name: ethanol; ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenylpyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-6-phenyl-2-pyridyl)thio]methyl]-4-(3-pyridyl)-4H-pyran-3-carboxylic acid ethyl ester; ethanol Formula: C29H27N5O4S MolecularWeight: 541.62078

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCO.CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H21N5O3S.C2H6O/c1-2-34-27(33)24-22(35-25(30)20(14-29)23(24)19-9-6-12-31-15-19)16-36-26-18(13-28)10-11-21(32-26)17-7-4-3-5-8-17;1-2-3/h3-12,15,23H,2,16,30H2,1H3;3H,2H2,1H3