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

Systemtic Name: ethyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate hydrochloride Openeye Name: ethyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate hydrochloride CAS Name: 4-[2-[(4-chlorophenyl)thio]phenyl]-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate hydrochloride Traditional Name: 4-[2-[(4-chlorophenyl)thio]phenyl]-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester hydrochloride Formula: C26H24Cl2N2O2S MolecularWeight: 499.45196

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O2S.ClH/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);1H