S-[4-(3-chlorophenyl)-6-phenyl-pyrimidin-2-yl] ethanethioate

Systemtic Name: S-[4-(3-chlorophenyl)-6-phenyl-pyrimidin-2-yl] ethanethioate Openeye Name: S-[4-(3-chlorophenyl)-6-phenyl-pyrimidin-2-yl] ethanethioate CAS Name: ethanethioic acid S-[4-(3-chlorophenyl)-6-phenyl-2-pyrimidinyl] ester IUPAC Name: S-[4-(3-chlorophenyl)-6-phenylpyrimidin-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[4-(3-chlorophenyl)-6-phenyl-pyrimidin-2-yl] ester Formula: C18H13ClN2OS MolecularWeight: 340.82662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NC(=CC(=N1)C2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1=NC(=CC(=N1)C2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H13ClN2OS/c1-12(22)23-18-20-16(13-6-3-2-4-7-13)11-17(21-18)14-8-5-9-15(19)10-14/h2-11H,1H3