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

Systemtic Name: S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] benzenecarbothioate Openeye Name: S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl] ester IUPAC Name: S-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] ester Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O2S/c1-13-12-17(14-8-10-16(23-2)11-9-14)21-19(20-13)24-18(22)15-6-4-3-5-7-15/h3-12H,1-2H3