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

Systemtic Name: methyl 3-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C18H16FN3O2S MolecularWeight: 357.401943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O2S/c1-24-16(23)11-12-25-18-21-20-17(13-5-3-2-4-6-13)22(18)15-9-7-14(19)8-10-15/h2-10H,11-12H2,1H3