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

Systemtic Name: 3-[3-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 3-[3-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoic acid CAS Name: 3-[3-[(5-cyano-2-fluorophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 3-[3-[(5-cyano-2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 3-[3-[(5-cyano-2-fluoro-benzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionic acid Formula: C17H13FN4O2S2 MolecularWeight: 388.439123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2CCC(=O)O)SCC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2CCC(=O)O)SCC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C17H13FN4O2S2/c18-13-4-3-11(9-19)8-12(13)10-26-17-21-20-16(14-2-1-7-25-14)22(17)6-5-15(23)24/h1-4,7-8H,5-6,10H2,(H,23,24)