2-[3-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-[(5-cyano-2-fluorophenyl)methylthio]-5-propyl-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-[(5-cyano-2-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-[(5-cyano-2-fluoro-benzyl)thio]-5-propyl-1,2,4-triazol-4-yl]acetic acid Formula: C15H15FN4O2S MolecularWeight: 334.368603

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)O)SCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)O)SCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C15H15FN4O2S/c1-2-3-13-18-19-15(20(13)8-14(21)22)23-9-11-6-10(7-17)4-5-12(11)16/h4-6H,2-3,8-9H2,1H3,(H,21,22)