4-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenolate

Systemtic Name: 4-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenolate Openeye Name: 4-nitro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenolate CAS Name: 4-nitro-2-[[(1-phenyl-5-tetrazolyl)thio]methyl]phenolate IUPAC Name: 4-nitro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenolate Traditional Name: 4-nitro-2-[[(1-phenyltetrazol-5-yl)thio]methyl]phenolate Formula: C14H10N5O3S- MolecularWeight: 328.3259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H11N5O3S/c20-13-7-6-12(19(21)22)8-10(13)9-23-14-15-16-17-18(14)11-4-2-1-3-5-11/h1-8,20H,9H2/p-1