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

Systemtic Name: 4-[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylsulfanyl)propoxy]benzoate Openeye Name: 4-[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylsulfanyl)propoxy]benzoate CAS Name: 4-[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylthio)propoxy]benzoate IUPAC Name: 4-[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylsulfanyl)propoxy]benzoate Traditional Name: 4-[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylthio)propoxy]benzoate Formula: C11H10N4O3S-2 MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NN=N[N-]2

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NN=N[N-]2

InChI

InChI=1S/C11H12N4O3S/c16-10(17)8-2-4-9(5-3-8)18-6-1-7-19-11-12-14-15-13-11/h2-5H,1,6-7H2,(H2,12,13,14,15,16,17)/p-2