5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-N-(4-methoxyphenyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-[(4-chlorophenyl)thio]-N-(4-methoxyphenyl)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=C(C=C3)Cl)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

InChI

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