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

Systemtic Name: N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylthio]-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(2-fluorobenzyl)thio]-5-(phenylthio)-N-p-phenetyl-pyrimidine-4-carboxamide Formula: C26H22FN3O2S2 MolecularWeight: 491.600183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4F

InChI

InChI=1S/C26H22FN3O2S2/c1-2-32-20-14-12-19(13-15-20)29-25(31)24-23(34-21-9-4-3-5-10-21)16-28-26(30-24)33-17-18-8-6-7-11-22(18)27/h3-16H,2,17H2,1H3,(H,29,31)