4-methyl-3-(4H-1,2,4-triazol-4-ium-3-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide bromide

Systemtic Name: 4-methyl-3-(4H-1,2,4-triazol-4-ium-3-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide bromide Openeye Name: 4-methyl-3-(4H-1,2,4-triazol-4-ium-3-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide bromide CAS Name: 4-methyl-3-(4H-1,2,4-triazol-4-ium-3-ylthio)-2,3-dihydrothiophene 1,1-dioxide bromide IUPAC Name: 4-methyl-3-(4H-1,2,4-triazol-4-ium-3-ylsulfanyl)-2,3-dihydrothiophene 1,1-dioxide bromide Traditional Name: 4-methyl-3-(4H-1,2,4-triazol-4-ium-3-ylthio)-2,3-dihydrothiophene 1,1-dioxide bromide Formula: C7H10BrN3O2S2 MolecularWeight: 312.2072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CS(=O)(=O)CC1SC2=NN=C[NH2+]2.[Br-]

Isomeric SMILES

CC1=CS(=O)(=O)CC1SC2=NN=C[NH2+]2.[Br-]

InChI

InChI=1S/C7H9N3O2S2.BrH/c1-5-2-14(11,12)3-6(5)13-7-8-4-9-10-7;/h2,4,6H,3H2,1H3,(H,8,9,10);1H