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

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-(4-chlorophenyl)sulfanyl-N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-(4-chlorophenyl)sulfanyl-N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-[(4-chlorophenyl)thio]-N-(4-ethylphenyl)-2-[(4-fluorobenzyl)thio]pyrimidine-4-carboxamide Formula: C26H21ClFN3OS2 MolecularWeight: 510.045843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H21ClFN3OS2/c1-2-17-5-11-21(12-6-17)30-25(32)24-23(34-22-13-7-19(27)8-14-22)15-29-26(31-24)33-16-18-3-9-20(28)10-4-18/h3-15H,2,16H2,1H3,(H,30,32)