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

Systemtic Name: S-(4,6-dimethylpyrimidin-2-yl) 4-chloranylbenzenecarbothioate Openeye Name: S-(4,6-dimethylpyrimidin-2-yl) 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-(4,6-dimethyl-2-pyrimidinyl) ester IUPAC Name: S-(4,6-dimethylpyrimidin-2-yl) 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-(4,6-dimethylpyrimidin-2-yl) ester Formula: C13H11ClN2OS MolecularWeight: 278.75724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2OS/c1-8-7-9(2)16-13(15-8)18-12(17)10-3-5-11(14)6-4-10/h3-7H,1-2H3