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

Systemtic Name: 2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C14H18FN5OS MolecularWeight: 323.389023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FN5OS/c1-14(2,3)17-11(21)8-22-13-19-18-12(20(13)16)9-5-4-6-10(15)7-9/h4-7H,8,16H2,1-3H3,(H,17,21)