1-[(2-fluorophenyl)methyl]-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(2-fluorophenyl)methyl]-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]triazole-4-carboxamide CAS Name: 1-[(2-fluorophenyl)methyl]-N-[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]-4-triazolecarboxamide IUPAC Name: 1-[(2-fluorophenyl)methyl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]triazole-4-carboxamide Traditional Name: 1-(2-fluorobenzyl)-N-[(1S)-1-methylol-3-(methylthio)propyl]triazole-4-carboxamide Formula: C15H19FN4O2S MolecularWeight: 338.400363

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC(=O)C1=CN(N=N1)CC2=CC=CC=C2F

Isomeric SMILES

CSCC[C@@H](CO)NC(=O)C1=CN(N=N1)CC2=CC=CC=C2F

InChI

InChI=1S/C15H19FN4O2S/c1-23-7-6-12(10-21)17-15(22)14-9-20(19-18-14)8-11-4-2-3-5-13(11)16/h2-5,9,12,21H,6-8,10H2,1H3,(H,17,22)/t12-/m0/s1