1-[2-[[5-(4-bromanylthiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium

Systemtic Name: 1-[2-[[5-(4-bromanylthiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium Openeye Name: 1-[2-[[5-(4-bromo-2-thienyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium CAS Name: 1-[2-[[5-(4-bromo-2-thiophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl]piperidin-1-ium IUPAC Name: 1-[2-[[5-(4-bromothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium Traditional Name: 1-[2-[[5-(4-bromo-2-thienyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl]piperidin-1-ium Formula: C14H20BrN4S2+ MolecularWeight: 388.3694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3=CC(=CS3)Br

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3=CC(=CS3)Br

InChI

InChI=1S/C14H19BrN4S2/c1-18-13(12-9-11(15)10-21-12)16-17-14(18)20-8-7-19-5-3-2-4-6-19/h9-10H,2-8H2,1H3/p+1