2-(furan-2-yl)-5-phenethylsulfanyl-pyrazolo[1,5-a][1,3,5]triazin-5-ium-7-amine

Systemtic Name: 2-(furan-2-yl)-5-phenethylsulfanyl-pyrazolo[1,5-a][1,3,5]triazin-5-ium-7-amine Openeye Name: 2-(2-furyl)-5-phenethylsulfanyl-pyrazolo[1,5-a][1,3,5]triazin-5-ium-7-amine CAS Name: 2-(2-furanyl)-5-(phenethylthio)-7-pyrazolo[1,5-a][1,3,5]triazin-5-iumamine IUPAC Name: 2-(furan-2-yl)-5-phenethylsulfanylpyrazolo[1,5-a][1,3,5]triazin-5-ium-7-amine Traditional Name: [2-(2-furyl)-5-(phenethylthio)pyrazolo[1,5-a][1,3,5]triazin-5-ium-7-yl]amine Formula: C17H16N5OS+ MolecularWeight: 338.40684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS[N+]23C=NC(=NC2=CC(=N3)N)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CCS[N+]23C=NC(=NC2=CC(=N3)N)C4=CC=CO4

InChI

InChI=1S/C17H16N5OS/c18-15-11-16-20-17(14-7-4-9-23-14)19-12-22(16,21-15)24-10-8-13-5-2-1-3-6-13/h1-7,9,11-12H,8,10H2,(H2,18,21)/q+1