3-[3-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid

Systemtic Name: 3-[3-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-[(4-cyano-2-fluorophenyl)methylthio]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-[(4-cyano-2-fluorophenyl)methylsulfanyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-[(4-cyano-2-fluoro-benzyl)thio]-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C14H11FN4O3S MolecularWeight: 334.325543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)F)CSC2=NC(=O)C(=NN2)CCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)F)CSC2=NC(=O)C(=NN2)CCC(=O)O

InChI

InChI=1S/C14H11FN4O3S/c15-10-5-8(6-16)1-2-9(10)7-23-14-17-13(22)11(18-19-14)3-4-12(20)21/h1-2,5H,3-4,7H2,(H,20,21)(H,17,19,22)