ethyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-[2-[(4-chlorophenyl)thio]phenyl]-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-[2-[(4-chlorophenyl)thio]phenyl]-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H23ClN2O2S MolecularWeight: 462.99102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2SC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2SC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C26H23ClN2O2S/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/h4-16,24H,3H2,1-2H3,(H,28,29)