S-[4-(4-methoxyphenyl)pyrimidin-2-yl] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[4-(4-methoxyphenyl)pyrimidin-2-yl] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[4-(4-methoxyphenyl)pyrimidin-2-yl] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[4-(4-methoxyphenyl)-2-pyrimidinyl] ester IUPAC Name: S-[4-(4-methoxyphenyl)pyrimidin-2-yl] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[4-(4-methoxyphenyl)pyrimidin-2-yl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)SC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)SC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H18N2O4S/c1-24-15-7-4-13(5-8-15)16-10-11-21-20(22-16)27-19(23)14-6-9-17(25-2)18(12-14)26-3/h4-12H,1-3H3