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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3O2S/c1-28-20-11-13-21(14-12-20)29-15-22-25-26-23(27(22)19-5-3-2-4-6-19)30-16-17-7-9-18(24)10-8-17/h2-14H,15-16H2,1H3