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

Systemtic Name: methyl 4-[[5-(4-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(4-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C24H20FN3O2S MolecularWeight: 433.497903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3O2S/c1-30-23(29)20-9-7-18(8-10-20)16-31-24-27-26-22(19-11-13-21(25)14-12-19)28(24)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3