2-[(4-fluorophenyl)methylsulfanyl]-N-(3-hydroxyphenyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-hydroxyphenyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-hydroxyphenyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-(3-hydroxyphenyl)-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-hydroxyphenyl)-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-(3-hydroxyphenyl)-5-(phenylthio)pyrimidine-4-carboxamide Formula: C24H18FN3O2S2 MolecularWeight: 463.547023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18FN3O2S2/c25-17-11-9-16(10-12-17)15-31-24-26-14-21(32-20-7-2-1-3-8-20)22(28-24)23(30)27-18-5-4-6-19(29)13-18/h1-14,29H,15H2,(H,27,30)