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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br

InChI

InChI=1S/C26H26BrN3S/c1-26(2,3)21-15-13-20(14-16-21)18-31-25-29-28-24(22-11-7-8-12-23(22)27)30(25)17-19-9-5-4-6-10-19/h4-16H,17-18H2,1-3H3