3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-(4-isobutoxyphenyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-ethyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-ethyl-5-(4-isobutoxyphenyl)-1,2,4-triazole Formula: C21H24BrN3OS MolecularWeight: 446.40376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)OCC(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)OCC(C)C

InChI

InChI=1S/C21H24BrN3OS/c1-4-25-20(17-8-10-19(11-9-17)26-13-15(2)3)23-24-21(25)27-14-16-6-5-7-18(22)12-16/h5-12,15H,4,13-14H2,1-3H3