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

Systemtic Name: methyl 6-azanyl-5-cyano-2-[(3-cyano-6-methyl-pyridin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-2-[(3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-6-methyl-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-methylpyridin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-6-methyl-2-pyridyl)thio]methyl]-4-p-cumenyl-4H-pyran-3-carboxylic acid methyl ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(C)C)C(=O)OC

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(C)C)C(=O)OC

InChI

InChI=1S/C25H24N4O3S/c1-14(2)16-7-9-17(10-8-16)21-19(12-27)23(28)32-20(22(21)25(30)31-4)13-33-24-18(11-26)6-5-15(3)29-24/h5-10,14,21H,13,28H2,1-4H3