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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4)Cl

InChI

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