2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C15H20FN5OS MolecularWeight: 337.415603

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)F

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)F

InChI

InChI=1S/C15H20FN5OS/c1-3-5-10(2)18-13(22)9-23-15-20-19-14(21(15)17)11-6-4-7-12(16)8-11/h4,6-8,10H,3,5,9,17H2,1-2H3,(H,18,22)/t10-/m0/s1