3-[(4-bromanylphenoxy)methyl]-5-[(2-chlorophenyl)methylsulfanyl]-4-octyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-5-[(2-chlorophenyl)methylsulfanyl]-4-octyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenoxy)methyl]-5-[(2-chlorophenyl)methylsulfanyl]-4-octyl-1,2,4-triazole CAS Name: 3-[(4-bromophenoxy)methyl]-5-[(2-chlorophenyl)methylthio]-4-octyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenoxy)methyl]-5-[(2-chlorophenyl)methylsulfanyl]-4-octyl-1,2,4-triazole Traditional Name: 3-[(4-bromophenoxy)methyl]-5-[(2-chlorobenzyl)thio]-4-octyl-1,2,4-triazole Formula: C24H29BrClN3OS MolecularWeight: 522.92856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC2=CC=CC=C2Cl)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC2=CC=CC=C2Cl)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C24H29BrClN3OS/c1-2-3-4-5-6-9-16-29-23(17-30-21-14-12-20(25)13-15-21)27-28-24(29)31-18-19-10-7-8-11-22(19)26/h7-8,10-15H,2-6,9,16-18H2,1H3