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

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-[(4-chlorophenyl)thio]-2-[(2-methylbenzyl)thio]-N-p-anisyl-pyrimidine-4-carboxamide Formula: C27H24ClN3O2S2 MolecularWeight: 522.08136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NCC3=CC=C(C=C3)OC)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NCC3=CC=C(C=C3)OC)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H24ClN3O2S2/c1-18-5-3-4-6-20(18)17-34-27-30-16-24(35-23-13-9-21(28)10-14-23)25(31-27)26(32)29-15-19-7-11-22(33-2)12-8-19/h3-14,16H,15,17H2,1-2H3,(H,29,32)