methyl 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C17H15FN4O2S MolecularWeight: 358.390003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NN=C(N1C2=CC=C(C=C2)F)C3=CC=NC=C3

Isomeric SMILES

COC(=O)CCSC1=NN=C(N1C2=CC=C(C=C2)F)C3=CC=NC=C3

InChI

InChI=1S/C17H15FN4O2S/c1-24-15(23)8-11-25-17-21-20-16(12-6-9-19-10-7-12)22(17)14-4-2-13(18)3-5-14/h2-7,9-10H,8,11H2,1H3