2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-thiophen-2-yl-ethanone bromide

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2-thienyl)ethanone bromide CAS Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-thiophen-2-ylethanone bromide IUPAC Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-thiophen-2-ylethanone bromide Traditional Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2-thienyl)ethanone bromide Formula: C10H13BrN4OS MolecularWeight: 317.20542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1N)C)CC(=O)C2=CC=CS2.[Br-]

Isomeric SMILES

CC1=NN(C(=[N+]1N)C)CC(=O)C2=CC=CS2.[Br-]

InChI

InChI=1S/C10H13N4OS.BrH/c1-7-12-13(8(2)14(7)11)6-9(15)10-4-3-5-16-10;/h3-5H,6,11H2,1-2H3;1H/q+1;/p-1