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

Systemtic Name: N-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(4-chlorophenyl)-2-[(4-fluorophenyl)methylthio]-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(4-chlorophenyl)-2-[(4-fluorobenzyl)thio]-5-(phenylthio)pyrimidine-4-carboxamide Formula: C24H17ClFN3OS2 MolecularWeight: 481.992683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H17ClFN3OS2/c25-17-8-12-19(13-9-17)28-23(30)22-21(32-20-4-2-1-3-5-20)14-27-24(29-22)31-15-16-6-10-18(26)11-7-16/h1-14H,15H2,(H,28,30)