(E)-ethoxy-ethylidene-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]azanium

Systemtic Name: (E)-ethoxy-ethylidene-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]azanium Openeye Name: (E)-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-ethoxy-ethylidene-ammonium CAS Name: (E)-ethoxy-ethylidene-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]ammonium IUPAC Name: (E)-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-ethoxy-ethylideneazanium Traditional Name: (E)-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-ethoxy-ethylidene-ammonium Formula: C13H17N4OS+ MolecularWeight: 277.36528

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Descriptors Computed from Structure

Canonical SMILES:

CCO[N+](=CC)C1=NC(=NN1)SCC2=CC=CC=C2

Isomeric SMILES

CCO/[N+](=C/C)/C1=NC(=NN1)SCC2=CC=CC=C2

InChI

InChI=1S/C13H17N4OS/c1-3-17(18-4-2)12-14-13(16-15-12)19-10-11-8-6-5-7-9-11/h3,5-9H,4,10H2,1-2H3,(H,14,15,16)/q+1/b17-3+