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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromobenzyl)thio]-5-(4-tert-butylphenyl)-1,2,4-triazol-4-yl]amine Formula: C19H21BrN4S MolecularWeight: 417.36584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN4S/c1-19(2,3)15-8-6-14(7-9-15)17-22-23-18(24(17)21)25-12-13-4-10-16(20)11-5-13/h4-11H,12,21H2,1-3H3