3-[(6-bromanylnaphthalen-2-yl)oxymethyl]-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(6-bromanylnaphthalen-2-yl)oxymethyl]-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(6-bromo-2-naphthyl)oxymethyl]-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(6-bromo-2-naphthalenyl)oxymethyl]-4-[3-(4-morpholin-4-iumyl)propyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(6-bromonaphthalen-2-yl)oxymethyl]-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(6-bromo-2-naphthoxy)methyl]-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Formula: C20H24BrN4O2S+ MolecularWeight: 464.39916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=NNC2=S)COC3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=NNC2=S)COC3=CC4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C20H23BrN4O2S/c21-17-4-2-16-13-18(5-3-15(16)12-17)27-14-19-22-23-20(28)25(19)7-1-6-24-8-10-26-11-9-24/h2-5,12-13H,1,6-11,14H2,(H,23,28)/p+1