diethyl 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]propanedioate

Systemtic Name: diethyl 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]sulfanyl]propanedioate CAS Name: 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]propanedioate Traditional Name: 2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]thio]malonic acid diethyl ester Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC(=C(N1)C2=CC=NC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC(=C(N1)C2=CC=NC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O4S/c1-3-28-19(26)18(20(27)29-4-2)30-21-24-16(13-5-7-15(22)8-6-13)17(25-21)14-9-11-23-12-10-14/h5-12,18H,3-4H2,1-2H3,(H,24,25)