S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl] ester IUPAC Name: S-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-13-11-17(14-5-8-16(25-2)9-6-14)23-21(22-13)28-20(24)15-7-10-18(26-3)19(12-15)27-4/h5-12H,1-4H3