S-[4-(4-methoxyphenyl)pyrimidin-2-yl] 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-[4-(4-methoxyphenyl)pyrimidin-2-yl] 3,5-dimethoxybenzenecarbothioate Openeye Name: S-[4-(4-methoxyphenyl)pyrimidin-2-yl] 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-[4-(4-methoxyphenyl)-2-pyrimidinyl] ester IUPAC Name: S-[4-(4-methoxyphenyl)pyrimidin-2-yl] 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-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(=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

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