S-[4-(trifluoromethyl)pyrimidin-2-yl] 4-chloranylbenzenecarbothioate

Systemtic Name: S-[4-(trifluoromethyl)pyrimidin-2-yl] 4-chloranylbenzenecarbothioate Openeye Name: S-[4-(trifluoromethyl)pyrimidin-2-yl] 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-[4-(trifluoromethyl)-2-pyrimidinyl] ester IUPAC Name: S-[4-(trifluoromethyl)pyrimidin-2-yl] 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-[4-(trifluoromethyl)pyrimidin-2-yl] ester Formula: C12H6ClF3N2OS MolecularWeight: 318.70205

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)SC2=NC=CC(=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)SC2=NC=CC(=N2)C(F)(F)F)Cl

InChI

InChI=1S/C12H6ClF3N2OS/c13-8-3-1-7(2-4-8)10(19)20-11-17-6-5-9(18-11)12(14,15)16/h1-6H