ethyl 6-azanyl-5-cyano-2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[[3-cyano-6-(4-pyridyl)-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)-2-pyridinyl]thio]methyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[[3-cyano-6-pyridin-4-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[[3-cyano-6-(4-pyridyl)-4-(trifluoromethyl)-2-pyridyl]thio]methyl]-4-p-cumenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C31H26F3N5O3S MolecularWeight: 605.63005

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)C)C#N)N)CSC3=C(C(=CC(=N3)C4=CC=NC=C4)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)C)C#N)N)CSC3=C(C(=CC(=N3)C4=CC=NC=C4)C(F)(F)F)C#N

InChI

InChI=1S/C31H26F3N5O3S/c1-4-41-30(40)27-25(42-28(37)22(15-36)26(27)20-7-5-18(6-8-20)17(2)3)16-43-29-21(14-35)23(31(32,33)34)13-24(39-29)19-9-11-38-12-10-19/h5-13,17,26H,4,16,37H2,1-3H3