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

Systemtic Name: methyl 6-azanyl-5-cyano-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-4-(4-isopropylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-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-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-4-p-cumenyl-4H-pyran-3-carboxylic acid methyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(C)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(C)C)C(=O)OC)C

InChI

InChI=1S/C26H26N4O3S/c1-14(2)17-6-8-18(9-7-17)22-20(12-28)24(29)33-21(23(22)26(31)32-5)13-34-25-19(11-27)15(3)10-16(4)30-25/h6-10,14,22H,13,29H2,1-5H3