3-[(4-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C22H18BrN3OS MolecularWeight: 452.36682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3OS/c1-27-20-13-9-17(10-14-20)21-24-25-22(26(21)19-5-3-2-4-6-19)28-15-16-7-11-18(23)12-8-16/h2-14H,15H2,1H3