S-(4-methylpyrimidin-2-yl) 3,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-(4-methylpyrimidin-2-yl) 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-(4-methylpyrimidin-2-yl) 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-(4-methyl-2-pyrimidinyl) ester IUPAC Name: S-(4-methylpyrimidin-2-yl) 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-(4-methylpyrimidin-2-yl) ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC1=NC(=NC=C1)SC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C15H16N2O4S/c1-9-5-6-16-15(17-9)22-14(18)10-7-11(19-2)13(21-4)12(8-10)20-3/h5-8H,1-4H3