S-[(2-methylphenyl)methyl] 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioate

Systemtic Name: S-[(2-methylphenyl)methyl] 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioate Openeye Name: S-(o-tolylmethyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioate CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzenecarbothioic acid S-[(2-methylphenyl)methyl] ester IUPAC Name: S-[(2-methylphenyl)methyl] 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioate Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxythiobenzoic acid S-(2-methylbenzyl) ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC(=O)C2=CC=CC=C2OC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CSC(=O)C2=CC=CC=C2OC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C21H20N2O4S/c1-14-8-4-5-9-15(14)13-28-20(24)16-10-6-7-11-17(16)27-21-22-18(25-2)12-19(23-21)26-3/h4-12H,13H2,1-3H3