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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=C(C=C4)F

InChI

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