S-(4-methylpyrimidin-2-yl) 4-chloranylbenzenecarbothioate

Systemtic Name: S-(4-methylpyrimidin-2-yl) 4-chloranylbenzenecarbothioate Openeye Name: S-(4-methylpyrimidin-2-yl) 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-(4-methyl-2-pyrimidinyl) ester IUPAC Name: S-(4-methylpyrimidin-2-yl) 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-(4-methylpyrimidin-2-yl) ester Formula: C12H9ClN2OS MolecularWeight: 264.73066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NC(=NC=C1)SC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H9ClN2OS/c1-8-6-7-14-12(15-8)17-11(16)9-2-4-10(13)5-3-9/h2-7H,1H3