2-[1-(4-chloranylphenoxy)-3,3-dimethyl-2-oxidanyl-butyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[1-(4-chloranylphenoxy)-3,3-dimethyl-2-oxidanyl-butyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[1-(4-chlorophenoxy)-2-hydroxy-3,3-dimethyl-butyl]-1H-1,2,4-triazole-3-thione CAS Name: 2-[1-(4-chlorophenoxy)-2-hydroxy-3,3-dimethylbutyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[1-(4-chlorophenoxy)-2-hydroxy-3,3-dimethylbutyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[1-(4-chlorophenoxy)-2-hydroxy-3,3-dimethyl-butyl]-1H-1,2,4-triazole-3-thione Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(N1C(=S)N=CN1)OC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C)C(C(N1C(=S)N=CN1)OC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C14H18ClN3O2S/c1-14(2,3)11(19)12(18-13(21)16-8-17-18)20-10-6-4-9(15)5-7-10/h4-8,11-12,19H,1-3H3,(H,16,17,21)