N-(2,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(2,4-dimethylphenyl)-2-[(4-fluorophenyl)methylthio]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(4-fluorobenzyl)thio]-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C27H24FN3OS2 MolecularWeight: 489.627363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24FN3OS2/c1-17-4-11-22(12-5-17)34-24-15-29-27(33-16-20-7-9-21(28)10-8-20)31-25(24)26(32)30-23-13-6-18(2)14-19(23)3/h4-15H,16H2,1-3H3,(H,30,32)