S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] 4-methoxybenzenecarbothioate

Systemtic Name: S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] 4-methoxybenzenecarbothioate Openeye Name: S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic acid S-[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl] ester IUPAC Name: S-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl] 4-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18N2O3S/c1-13-12-18(14-4-8-16(24-2)9-5-14)22-20(21-13)26-19(23)15-6-10-17(25-3)11-7-15/h4-12H,1-3H3