3-[3-[5-[(4-bromanylphenoxy)methyl]furan-2-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[3-[5-[(4-bromanylphenoxy)methyl]furan-2-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[3-[5-[(4-bromophenoxy)methyl]-2-furyl]-5-thioxo-1H-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[3-[5-[(4-bromophenoxy)methyl]-2-furanyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-dimethylammonium IUPAC Name: 3-[3-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-dimethylazanium Traditional Name: 3-[3-[5-[(4-bromophenoxy)methyl]-2-furyl]-5-thioxo-1H-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium Formula: C18H22BrN4O2S+ MolecularWeight: 438.36188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=NNC1=S)C2=CC=C(O2)COC3=CC=C(C=C3)Br

Isomeric SMILES

C[NH+](C)CCCN1C(=NNC1=S)C2=CC=C(O2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H21BrN4O2S/c1-22(2)10-3-11-23-17(20-21-18(23)26)16-9-8-15(25-16)12-24-14-6-4-13(19)5-7-14/h4-9H,3,10-12H2,1-2H3,(H,21,26)/p+1