3-[4-(2-methylphenoxy)butylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[4-(2-methylphenoxy)butylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4-(2-methylphenoxy)butylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-(2-methylphenoxy)butylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4-(2-methylphenoxy)butylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[4-(2-methylphenoxy)butylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C13H18N4OS MolecularWeight: 278.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCCSC2=NNC(=N2)N

Isomeric SMILES

CC1=CC=CC=C1OCCCCSC2=NNC(=N2)N

InChI

InChI=1S/C13H18N4OS/c1-10-6-2-3-7-11(10)18-8-4-5-9-19-13-15-12(14)16-17-13/h2-3,6-7H,4-5,8-9H2,1H3,(H3,14,15,16,17)