3-[3-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[3-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[3-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[3-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethylammonium IUPAC Name: 3-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl-dimethylazanium Traditional Name: 3-[3-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium Formula: C19H25N6O2S+ MolecularWeight: 401.5058

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC=NC=C3

Isomeric SMILES

C[NH+](C)CCCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC=NC=C3

InChI

InChI=1S/C19H24N6O2S/c1-24(2)10-4-11-25-18(15-6-8-20-9-7-15)22-23-19(25)28-14-17(26)21-13-16-5-3-12-27-16/h3,5-9,12H,4,10-11,13-14H2,1-2H3,(H,21,26)/p+1