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

Systemtic Name: methyl 4-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C25H22FN3O2S/c1-31-24(30)20-13-11-19(12-14-20)17-32-25-28-27-23(21-9-5-6-10-22(21)26)29(25)16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3