4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylsulfanyl)ethoxy]benzoate

Systemtic Name: 4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylsulfanyl)ethoxy]benzoate Openeye Name: 4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylsulfanyl)ethoxy]benzoate CAS Name: 4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylthio)ethoxy]benzoate IUPAC Name: 4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylsulfanyl)ethoxy]benzoate Traditional Name: 4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylthio)ethoxy]benzoate Formula: C10H8N4O3S-2 MolecularWeight: 264.26052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCCSC2=NN=N[N-]2

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCCSC2=NN=N[N-]2

InChI

InChI=1S/C10H10N4O3S/c15-9(16)7-1-3-8(4-2-7)17-5-6-18-10-11-13-14-12-10/h1-4H,5-6H2,(H2,11,12,13,14,15,16)/p-2