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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(4-tert-butylphenyl)-4-(o-tolyl)-1,2,4-triazole Formula: C26H26BrN3S MolecularWeight: 492.47374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H26BrN3S/c1-18-7-5-6-8-23(18)30-24(20-11-13-21(14-12-20)26(2,3)4)28-29-25(30)31-17-19-9-15-22(27)16-10-19/h5-16H,17H2,1-4H3