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

Systemtic Name: N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylthio]-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(4-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=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=C(C=C4)F

InChI

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