2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-(4-methoxyphenyl)-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(4-chlorobenzyl)thio]-N-(4-methoxyphenyl)-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C26H22ClN3O2S2 MolecularWeight: 508.05478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H22ClN3O2S2/c1-17-3-13-22(14-4-17)34-23-15-28-26(33-16-18-5-7-19(27)8-6-18)30-24(23)25(31)29-20-9-11-21(32-2)12-10-20/h3-15H,16H2,1-2H3,(H,29,31)