3-[3-[(6-bromanylnaphthalen-2-yl)oxymethyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[3-[(6-bromanylnaphthalen-2-yl)oxymethyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[3-[(6-bromo-2-naphthyl)oxymethyl]-5-thioxo-1H-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[3-[(6-bromo-2-naphthalenyl)oxymethyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-dimethylammonium IUPAC Name: 3-[3-[(6-bromonaphthalen-2-yl)oxymethyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-dimethylazanium Traditional Name: 3-[3-[(6-bromo-2-naphthoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium Formula: C18H22BrN4OS+ MolecularWeight: 422.36248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=NNC1=S)COC2=CC3=C(C=C2)C=C(C=C3)Br

Isomeric SMILES

C[NH+](C)CCCN1C(=NNC1=S)COC2=CC3=C(C=C2)C=C(C=C3)Br

InChI

InChI=1S/C18H21BrN4OS/c1-22(2)8-3-9-23-17(20-21-18(23)25)12-24-16-7-5-13-10-15(19)6-4-14(13)11-16/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,25)/p+1