methyl 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole-3-carboxylate Openeye Name: methyl 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-[4-(methylthio)phenyl]-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-[4-(methylthio)phenyl]-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C17H14FN3O2S MolecularWeight: 343.375363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=N1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=NN(C(=N1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H14FN3O2S/c1-23-17(22)15-19-16(11-3-9-14(24-2)10-4-11)21(20-15)13-7-5-12(18)6-8-13/h3-10H,1-2H3