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

Systemtic Name: S-[6-methyl-2-(phenylcarbonylsulfanyl)pyrimidin-4-yl] benzenecarbothioate Openeye Name: S-(2-benzoylsulfanyl-6-methyl-pyrimidin-4-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-(benzoylthio)-6-methyl-4-pyrimidinyl] ester IUPAC Name: S-(2-benzoylsulfanyl-6-methylpyrimidin-4-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(benzoylthio)-6-methyl-pyrimidin-4-yl] ester Formula: C19H14N2O2S2 MolecularWeight: 366.45666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H14N2O2S2/c1-13-12-16(24-17(22)14-8-4-2-5-9-14)21-19(20-13)25-18(23)15-10-6-3-7-11-15/h2-12H,1H3