3-[(4-bromophenyl)methylsulfanyl]-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromobenzyl)thio]-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C20H23BrN4OS MolecularWeight: 447.39182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN4OS/c1-20(2,3)15-6-10-17(11-7-15)26-12-18-23-24-19(25(18)22)27-13-14-4-8-16(21)9-5-14/h4-11H,12-13,22H2,1-3H3