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

Systemtic Name: methyl 6-azanyl-5-cyano-2-[[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]methyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-2-[[3-cyano-6-phenyl-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-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]methyl]-4-p-cumenyl-4H-pyran-3-carboxylic acid methyl ester Formula: C31H25F3N4O3S MolecularWeight: 590.61541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)C#N)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)C#N)N)C#N

InChI

InChI=1S/C31H25F3N4O3S/c1-17(2)18-9-11-20(12-10-18)26-22(15-36)28(37)41-25(27(26)30(39)40-3)16-42-29-21(14-35)23(31(32,33)34)13-24(38-29)19-7-5-4-6-8-19/h4-13,17,26H,16,37H2,1-3H3