S-(1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl) benzenecarbothioate

Systemtic Name: S-(1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl) benzenecarbothioate Openeye Name: S-(1,4-dimethyl-6-oxo-pyrimidin-2-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(1,4-dimethyl-6-oxo-2-pyrimidinyl) ester IUPAC Name: S-(1,4-dimethyl-6-oxopyrimidin-2-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(6-keto-1,4-dimethyl-pyrimidin-2-yl) ester Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O2S/c1-9-8-11(16)15(2)13(14-9)18-12(17)10-6-4-3-5-7-10/h3-8H,1-2H3