[azanyl-[5-(phenylmethylsulfanyl)-2H-1,2,3-triazol-4-yl]methylidene]-dimethyl-azanium

Systemtic Name: [azanyl-[5-(phenylmethylsulfanyl)-2H-1,2,3-triazol-4-yl]methylidene]-dimethyl-azanium Openeye Name: [amino-(5-benzylsulfanyl-2H-triazol-4-yl)methylene]-dimethyl-ammonium CAS Name: [amino-[5-(phenylmethylthio)-2H-triazol-4-yl]methylidene]-dimethylammonium IUPAC Name: [amino-(5-benzylsulfanyl-2H-triazol-4-yl)methylidene]-dimethylazanium Traditional Name: [amino-[5-(benzylthio)-2H-triazol-4-yl]methylene]-dimethyl-ammonium Formula: C12H16N5S+ MolecularWeight: 262.35394

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C(C1=NNN=C1SCC2=CC=CC=C2)N)C

Isomeric SMILES

C[N+](=C(C1=NNN=C1SCC2=CC=CC=C2)N)C

InChI

InChI=1S/C12H15N5S/c1-17(2)11(13)10-12(15-16-14-10)18-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,13,14,15,16)/p+1