4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butyl N'-methylcarbamimidothioate hydrobromide

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butyl N'-methylcarbamimidothioate hydrobromide Openeye Name: 3-methyl-2-[4-(1-methyltetrazol-5-yl)sulfanylbutyl]isothiourea hydrobromide CAS Name: N'-methylcarbamimidothioic acid 4-[(1-methyl-5-tetrazolyl)thio]butyl ester hydrobromide IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanylbutyl N'-methylcarbamimidothioate hydrobromide Traditional Name: 3-methyl-2-[4-[(1-methyltetrazol-5-yl)thio]butyl]isothiourea hydrobromide Formula: C8H17BrN6S2 MolecularWeight: 341.29478

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SCCCCSC1=NN=NN1C.Br

Isomeric SMILES

CN=C(N)SCCCCSC1=NN=NN1C.Br

InChI

InChI=1S/C8H16N6S2.BrH/c1-10-7(9)15-5-3-4-6-16-8-11-12-13-14(8)2;/h3-6H2,1-2H3,(H2,9,10);1H