3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylsulfanylmethyl)benzoate

Systemtic Name: 3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylsulfanylmethyl)benzoate Openeye Name: 3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylsulfanylmethyl)benzoate CAS Name: 3-[(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylthio)methyl]benzoate IUPAC Name: 3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylsulfanylmethyl)benzoate Traditional Name: 3-[(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylthio)methyl]benzoate Formula: C9H6N4O2S-2 MolecularWeight: 234.23454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=N[N-]2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=N[N-]2)C(=O)[O-]

InChI

InChI=1S/C9H8N4O2S/c14-8(15)7-3-1-2-6(4-7)5-16-9-10-12-13-11-9/h1-4H,5H2,(H2,10,11,12,13,14,15)/p-2