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

Systemtic Name: 2-[3-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-[(4-cyano-2-fluorophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-[(4-cyano-2-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-[(4-cyano-2-fluoro-benzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetic acid Formula: C16H11FN4O2S2 MolecularWeight: 374.412543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2CC(=O)O)SCC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2CC(=O)O)SCC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C16H11FN4O2S2/c17-12-6-10(7-18)3-4-11(12)9-25-16-20-19-15(13-2-1-5-24-13)21(16)8-14(22)23/h1-6H,8-9H2,(H,22,23)