tert-butyl 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: tert-butyl 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methylthio]-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(4-chlorobenzyl)thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C25H24Cl2N2O2S MolecularWeight: 487.44126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H24Cl2N2O2S/c1-15-21(24(30)31-25(2,3)4)22(17-7-11-19(27)12-8-17)20(13-28)23(29-15)32-14-16-5-9-18(26)10-6-16/h5-12,22,29H,14H2,1-4H3