S-[2-(3,5-dimethoxyphenyl)carbonylsulfanyl-6-methyl-pyrimidin-4-yl] 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-[2-(3,5-dimethoxyphenyl)carbonylsulfanyl-6-methyl-pyrimidin-4-yl] 3,5-dimethoxybenzenecarbothioate Openeye Name: S-[2-(3,5-dimethoxybenzoyl)sulfanyl-6-methyl-pyrimidin-4-yl] 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-[2-[[(3,5-dimethoxyphenyl)-oxomethyl]thio]-6-methyl-4-pyrimidinyl] ester IUPAC Name: S-[2-(3,5-dimethoxybenzoyl)sulfanyl-6-methylpyrimidin-4-yl] 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-[2-[(3,5-dimethoxybenzoyl)thio]-6-methyl-pyrimidin-4-yl] ester Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C2=CC(=CC(=C2)OC)OC)SC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C2=CC(=CC(=C2)OC)OC)SC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H22N2O6S2/c1-13-6-20(32-21(26)14-7-16(28-2)11-17(8-14)29-3)25-23(24-13)33-22(27)15-9-18(30-4)12-19(10-15)31-5/h6-12H,1-5H3