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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-N-(4-methoxyphenyl)-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-N-(4-methoxyphenyl)-5-(phenylthio)pyrimidine-4-carboxamide Formula: C25H20ClN3O2S2 MolecularWeight: 494.0282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H20ClN3O2S2/c1-31-19-13-11-18(12-14-19)28-24(30)23-22(33-20-8-3-2-4-9-20)15-27-25(29-23)32-16-17-7-5-6-10-21(17)26/h2-15H,16H2,1H3,(H,28,30)