(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl) 3,4-bis(chloranyl)benzoate

Systemtic Name: (2-methylsulfanyl-6-phenyl-pyrimidin-4-yl) 3,4-bis(chloranyl)benzoate Openeye Name: (2-methylsulfanyl-6-phenyl-pyrimidin-4-yl) 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [2-(methylthio)-6-phenyl-4-pyrimidinyl] ester IUPAC Name: (2-methylsulfanyl-6-phenylpyrimidin-4-yl) 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [2-(methylthio)-6-phenyl-pyrimidin-4-yl] ester Formula: C18H12Cl2N2O2S MolecularWeight: 391.27108

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)OC(=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=N1)OC(=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H12Cl2N2O2S/c1-25-18-21-15(11-5-3-2-4-6-11)10-16(22-18)24-17(23)12-7-8-13(19)14(20)9-12/h2-10H,1H3