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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazole Formula: C22H17BrClN3OS MolecularWeight: 486.81188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrClN3OS/c1-28-20-7-3-5-16(13-20)21-25-26-22(27(21)19-10-8-18(24)9-11-19)29-14-15-4-2-6-17(23)12-15/h2-13H,14H2,1H3