5-[(4-bromanylphenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-octyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(4-bromanylphenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-octyl-1,2,4-triazole-3-thione Openeye Name: 5-[(4-bromophenoxy)methyl]-2-(morpholinomethyl)-4-octyl-1,2,4-triazole-3-thione CAS Name: 5-[(4-bromophenoxy)methyl]-2-(4-morpholinylmethyl)-4-octyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-bromophenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-octyl-1,2,4-triazole-3-thione Traditional Name: 5-[(4-bromophenoxy)methyl]-2-(morpholinomethyl)-4-octyl-1,2,4-triazole-3-thione Formula: C22H33BrN4O2S MolecularWeight: 497.49202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN(C1=S)CN2CCOCC2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCCCN1C(=NN(C1=S)CN2CCOCC2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H33BrN4O2S/c1-2-3-4-5-6-7-12-26-21(17-29-20-10-8-19(23)9-11-20)24-27(22(26)30)18-25-13-15-28-16-14-25/h8-11H,2-7,12-18H2,1H3