3-[(3-bromanylphenoxy)methyl]-5-(2-methylpropylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-bromanylphenoxy)methyl]-5-(2-methylpropylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromophenoxy)methyl]-5-isobutylsulfanyl-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromophenoxy)methyl]-5-(2-methylpropylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromophenoxy)methyl]-5-(2-methylpropylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromophenoxy)methyl]-5-(isobutylthio)-1,2,4-triazol-4-yl]amine Formula: C13H17BrN4OS MolecularWeight: 357.26928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1N)COC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)CSC1=NN=C(N1N)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H17BrN4OS/c1-9(2)8-20-13-17-16-12(18(13)15)7-19-11-5-3-4-10(14)6-11/h3-6,9H,7-8,15H2,1-2H3