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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-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(=CC=C4)Br

Isomeric SMILES

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

InChI

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