S-[[3-cyano-4,6-dimethyl-5-(phenylmethyl)pyridin-2-yl]methyl] 2-oxidanylidenechromene-3-carbothioate

Systemtic Name: S-[[3-cyano-4,6-dimethyl-5-(phenylmethyl)pyridin-2-yl]methyl] 2-oxidanylidenechromene-3-carbothioate Openeye Name: S-[(5-benzyl-3-cyano-4,6-dimethyl-2-pyridyl)methyl] 2-oxochromene-3-carbothioate CAS Name: 2-oxo-1-benzopyran-3-carbothioic acid S-[[3-cyano-4,6-dimethyl-5-(phenylmethyl)-2-pyridinyl]methyl] ester IUPAC Name: S-[(5-benzyl-3-cyano-4,6-dimethylpyridin-2-yl)methyl] 2-oxochromene-3-carbothioate Traditional Name: 2-ketochromene-3-carbothioic acid S-[(5-benzyl-3-cyano-4,6-dimethyl-2-pyridyl)methyl] ester Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1CC2=CC=CC=C2)C)CSC(=O)C3=CC4=CC=CC=C4OC3=O)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1CC2=CC=CC=C2)C)CSC(=O)C3=CC4=CC=CC=C4OC3=O)C#N

InChI

InChI=1S/C26H20N2O3S/c1-16-20(12-18-8-4-3-5-9-18)17(2)28-23(22(16)14-27)15-32-26(30)21-13-19-10-6-7-11-24(19)31-25(21)29/h3-11,13H,12,15H2,1-2H3