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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(4-chlorophenyl)sulfanyl-N-(2-methoxyphenyl)pyrimidine-4-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(4-chlorophenyl)sulfanyl-N-(2-methoxyphenyl)pyrimidine-4-carboxamide CAS Name: 2-[(4-chlorophenyl)methylthio]-5-[(4-chlorophenyl)thio]-N-(2-methoxyphenyl)-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(4-chlorophenyl)sulfanyl-N-(2-methoxyphenyl)pyrimidine-4-carboxamide Traditional Name: 2-[(4-chlorobenzyl)thio]-5-[(4-chlorophenyl)thio]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide Formula: C25H19Cl2N3O2S2 MolecularWeight: 528.47326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H19Cl2N3O2S2/c1-32-21-5-3-2-4-20(21)29-24(31)23-22(34-19-12-10-18(27)11-13-19)14-28-25(30-23)33-15-16-6-8-17(26)9-7-16/h2-14H,15H2,1H3,(H,29,31)