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

Systemtic Name: methyl 3-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)CCSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C20H20FN3O2S/c1-26-18(25)12-14-27-20-23-22-19(16-9-5-6-10-17(16)21)24(20)13-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3