ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-pyrimidine-5-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-4-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-phenylpyrimidine-5-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-4-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H17ClN2O2S MolecularWeight: 384.87918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2O2S/c1-2-25-19(24)17-12-22-20(23-18(17)15-6-4-3-5-7-15)26-13-14-8-10-16(21)11-9-14/h3-12H,2,13H2,1H3