4-(4-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-5-pyridin-4-yl-pyrimidine

Systemtic Name: 4-(4-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-5-pyridin-4-yl-pyrimidine Openeye Name: 4-(4-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-5-(4-pyridyl)pyrimidine CAS Name: 4-(4-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylthio]-5-pyridin-4-ylpyrimidine IUPAC Name: 4-(4-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-5-pyridin-4-ylpyrimidine Traditional Name: 4-(4-fluorophenyl)-2-[(4-mesylbenzyl)thio]-5-(4-pyridyl)pyrimidine Formula: C23H18FN3O2S2 MolecularWeight: 451.536323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C23H18FN3O2S2/c1-31(28,29)20-8-2-16(3-9-20)15-30-23-26-14-21(17-10-12-25-13-11-17)22(27-23)18-4-6-19(24)7-5-18/h2-14H,15H2,1H3