(2S)-N-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide

Systemtic Name: (2S)-N-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Openeye Name: (2S)-N-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide CAS Name: (2S)-N-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylthio)butanamide IUPAC Name: (2S)-N-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Traditional Name: (2S)-N-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylthio)butyramide Formula: C12H13FN4OS MolecularWeight: 280.321223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC=NN2

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)F)SC2=NC=NN2

InChI

InChI=1S/C12H13FN4OS/c1-2-10(19-12-14-7-15-17-12)11(18)16-9-5-3-8(13)4-6-9/h3-7,10H,2H2,1H3,(H,16,18)(H,14,15,17)/t10-/m0/s1