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

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

CC(C(=O)OC)SC1=NN=C(N1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C18H16FN3O2S/c1-12(17(23)24-2)25-18-21-20-16(13-6-4-3-5-7-13)22(18)15-10-8-14(19)9-11-15/h3-12H,1-2H3