3-cyanopropyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: 3-cyanopropyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid 3-cyanopropyl ester Formula: C15H14FN3O2S MolecularWeight: 319.353963

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCCCC#N

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCCCC#N

InChI

InChI=1S/C15H14FN3O2S/c1-22-15-18-10-13(14(20)21-9-3-2-8-17)19(15)12-6-4-11(16)5-7-12/h4-7,10H,2-3,9H2,1H3