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

Systemtic Name: S-(4,6-dimethylpyrimidin-2-yl) 4-fluoranylbenzenecarbothioate Openeye Name: S-(4,6-dimethylpyrimidin-2-yl) 4-fluorobenzenecarbothioate CAS Name: 4-fluorobenzenecarbothioic acid S-(4,6-dimethyl-2-pyrimidinyl) ester IUPAC Name: S-(4,6-dimethylpyrimidin-2-yl) 4-fluorobenzenecarbothioate Traditional Name: 4-fluorothiobenzoic acid S-(4,6-dimethylpyrimidin-2-yl) ester Formula: C13H11FN2OS MolecularWeight: 262.302643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11FN2OS/c1-8-7-9(2)16-13(15-8)18-12(17)10-3-5-11(14)6-4-10/h3-7H,1-2H3