2-[[1-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylethyl-dimethyl-ammonium CAS Name: 2-[[1-(4-carbamoylphenyl)-5-tetrazolyl]thio]ethyl-dimethylammonium IUPAC Name: 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylethyl-dimethylazanium Traditional Name: 2-[[1-(4-carbamoylphenyl)tetrazol-5-yl]thio]ethyl-dimethyl-ammonium Formula: C12H17N6OS+ MolecularWeight: 293.36798

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=NN=NN1C2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C[NH+](C)CCSC1=NN=NN1C2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C12H16N6OS/c1-17(2)7-8-20-12-14-15-16-18(12)10-5-3-9(4-6-10)11(13)19/h3-6H,7-8H2,1-2H3,(H2,13,19)/p+1