2-[(2-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: 2-[(2-fluorophenyl)methylthio]-N-[(4-methoxyphenyl)methyl]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(2-fluorobenzyl)thio]-N-p-anisyl-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C27H24FN3O2S2 MolecularWeight: 505.626763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NCC3=CC=C(C=C3)OC)SCC4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NCC3=CC=C(C=C3)OC)SCC4=CC=CC=C4F

InChI

InChI=1S/C27H24FN3O2S2/c1-18-7-13-22(14-8-18)35-24-16-30-27(34-17-20-5-3-4-6-23(20)28)31-25(24)26(32)29-15-19-9-11-21(33-2)12-10-19/h3-14,16H,15,17H2,1-2H3,(H,29,32)