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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br

InChI

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