3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-cyclohexyl-1-phenyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-cyclohexyl-1-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-cyclohexyl-1-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-cyclohexyl-1-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-cyclohexyl-1-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-cyclohexyl-1-phenyl-1,2,4-triazole Formula: C22H24BrN3OS MolecularWeight: 458.41446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H24BrN3OS/c23-18-11-13-20(14-12-18)27-15-16-28-22-24-21(17-7-3-1-4-8-17)26(25-22)19-9-5-2-6-10-19/h2,5-6,9-14,17H,1,3-4,7-8,15-16H2