3-[3-[bis(fluoranyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-yl]propanoate

Systemtic Name: 3-[3-[bis(fluoranyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-yl]propanoate Openeye Name: 3-[3-(difluoromethylsulfanyl)-5-(4-ethoxyphenyl)-1,2,4-triazol-4-yl]propanoate CAS Name: 3-[3-(difluoromethylthio)-5-(4-ethoxyphenyl)-1,2,4-triazol-4-yl]propanoate IUPAC Name: 3-[3-(difluoromethylsulfanyl)-5-(4-ethoxyphenyl)-1,2,4-triazol-4-yl]propanoate Traditional Name: 3-[3-(difluoromethylthio)-5-p-phenetyl-1,2,4-triazol-4-yl]propionate Formula: C14H14F2N3O3S- MolecularWeight: 342.341066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2CCC(=O)[O-])SC(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2CCC(=O)[O-])SC(F)F

InChI

InChI=1S/C14H15F2N3O3S/c1-2-22-10-5-3-9(4-6-10)12-17-18-14(23-13(15)16)19(12)8-7-11(20)21/h3-6,13H,2,7-8H2,1H3,(H,20,21)/p-1