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

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C14H17FN4OS MolecularWeight: 308.374383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C14H17FN4OS/c1-14(2,3)12-17-13(19-18-12)21-8-11(20)16-10-6-4-9(15)5-7-10/h4-7H,8H2,1-3H3,(H,16,20)(H,17,18,19)