N-(3-ethanoylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-2-[(4-fluorophenyl)methylthio]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-2-[(4-fluorobenzyl)thio]-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C27H22FN3O2S2 MolecularWeight: 503.610883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC(=C3)C(=O)C)SCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC(=C3)C(=O)C)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H22FN3O2S2/c1-17-6-12-23(13-7-17)35-24-15-29-27(34-16-19-8-10-21(28)11-9-19)31-25(24)26(33)30-22-5-3-4-20(14-22)18(2)32/h3-15H,16H2,1-2H3,(H,30,33)