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

Systemtic Name: 5-tert-butyl-2-[[2-(4-chloranylphenoxy)ethyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Formula: C16H23ClN4OS MolecularWeight: 354.89802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN(C)CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN(C)CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H23ClN4OS/c1-16(2,3)14-18-15(23)21(19-14)11-20(4)9-10-22-13-7-5-12(17)6-8-13/h5-8H,9-11H2,1-4H3,(H,18,19,23)