3-[3-(2,6-dimethylphenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[3-(2,6-dimethylphenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[3-(2,6-dimethylphenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[3-(2,6-dimethylphenoxy)propylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[3-(2,6-dimethylphenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[3-(2,6-dimethylphenoxy)propylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C13H18N4OS MolecularWeight: 278.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCCSC2=NNC(=N2)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCCSC2=NNC(=N2)N

InChI

InChI=1S/C13H18N4OS/c1-9-5-3-6-10(2)11(9)18-7-4-8-19-13-15-12(14)16-17-13/h3,5-6H,4,7-8H2,1-2H3,(H3,14,15,16,17)