3-[(4-bromanylphenoxy)methyl]-5-butylsulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-5-butylsulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenoxy)methyl]-5-butylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenoxy)methyl]-5-(butylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenoxy)methyl]-5-butylsulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromophenoxy)methyl]-5-(butylthio)-4-phenyl-1,2,4-triazole Formula: C19H20BrN3OS MolecularWeight: 418.3506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3OS/c1-2-3-13-25-19-22-21-18(23(19)16-7-5-4-6-8-16)14-24-17-11-9-15(20)10-12-17/h4-12H,2-3,13-14H2,1H3