2-nitro-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenolate

Systemtic Name: 2-nitro-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenolate Openeye Name: 2-nitro-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenolate CAS Name: 2-nitro-4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenolate IUPAC Name: 2-nitro-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenolate Traditional Name: 2-nitro-4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenolate Formula: C9H7N4O3S- MolecularWeight: 251.24188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NC=NN2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NC=NN2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C9H8N4O3S/c14-8-2-1-6(3-7(8)13(15)16)4-17-9-10-5-11-12-9/h1-3,5,14H,4H2,(H,10,11,12)/p-1