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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(4-methylphenyl)-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(4-bromophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(4-methylphenyl)-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(4-bromophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-benzyl-5-[(4-bromobenzyl)thio]-4-(p-tolyl)-1,2,4-triazole Formula: C23H20BrN3S MolecularWeight: 450.394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C23H20BrN3S/c1-17-7-13-21(14-8-17)27-22(15-18-5-3-2-4-6-18)25-26-23(27)28-16-19-9-11-20(24)12-10-19/h2-14H,15-16H2,1H3