5-tert-butyl-2-[[3-(4-fluoranylphenoxy)propyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[[3-(4-fluoranylphenoxy)propyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[3-(4-fluorophenoxy)propyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[3-(4-fluorophenoxy)propyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[3-(4-fluorophenoxy)propyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[3-(4-fluorophenoxy)propyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Formula: C17H25FN4OS MolecularWeight: 352.470003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN(C)CCCOC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN(C)CCCOC2=CC=C(C=C2)F

InChI

InChI=1S/C17H25FN4OS/c1-17(2,3)15-19-16(24)22(20-15)12-21(4)10-5-11-23-14-8-6-13(18)7-9-14/h6-9H,5,10-12H2,1-4H3,(H,19,20,24)