ethyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[2-[(4-chlorophenyl)thio]phenyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[2-[(4-chlorophenyl)thio]phenyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H21ClN2O2S MolecularWeight: 460.97514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H21ClN2O2S/c1-3-31-26(30)23-17(2)28-25(18-9-5-4-6-10-18)29-24(23)21-11-7-8-12-22(21)32-20-15-13-19(27)14-16-20/h4-16H,3H2,1-2H3