3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole Formula: C21H24BrN3S MolecularWeight: 430.40436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24BrN3S/c1-5-25-19(16-8-10-17(11-9-16)21(2,3)4)23-24-20(25)26-14-15-6-12-18(22)13-7-15/h6-13H,5,14H2,1-4H3