quinolin-8-ylmethyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: quinolin-8-ylmethyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: 8-quinolylmethyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid 8-quinolylmethyl ester Formula: C21H16FN3O2S MolecularWeight: 393.434043

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H16FN3O2S/c1-28-21-24-12-18(25(21)17-9-7-16(22)8-10-17)20(26)27-13-15-5-2-4-14-6-3-11-23-19(14)15/h2-12H,13H2,1H3