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

Systemtic Name: N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylthio]-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(4-ethylphenyl)-2-[(4-fluorobenzyl)thio]-5-(phenylthio)pyrimidine-4-carboxamide Formula: C26H22FN3OS2 MolecularWeight: 475.600783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FN3OS2/c1-2-18-10-14-21(15-11-18)29-25(31)24-23(33-22-6-4-3-5-7-22)16-28-26(30-24)32-17-19-8-12-20(27)13-9-19/h3-16H,2,17H2,1H3,(H,29,31)