S-(4,6-dimethylpyrimidin-2-yl) benzenecarbothioate

Systemtic Name: S-(4,6-dimethylpyrimidin-2-yl) benzenecarbothioate Openeye Name: S-(4,6-dimethylpyrimidin-2-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(4,6-dimethyl-2-pyrimidinyl) ester IUPAC Name: S-(4,6-dimethylpyrimidin-2-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(4,6-dimethylpyrimidin-2-yl) ester Formula: C13H12N2OS MolecularWeight: 244.31218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2OS/c1-9-8-10(2)15-13(14-9)17-12(16)11-6-4-3-5-7-11/h3-8H,1-2H3