4-nitro-2-[2-(phenylmethylsulfanyl)ethyliminomethyl]phenolate

Systemtic Name: 4-nitro-2-[2-(phenylmethylsulfanyl)ethyliminomethyl]phenolate Openeye Name: 2-(2-benzylsulfanylethyliminomethyl)-4-nitro-phenolate CAS Name: 4-nitro-2-[2-(phenylmethylthio)ethyliminomethyl]phenolate IUPAC Name: 2-(2-benzylsulfanylethyliminomethyl)-4-nitrophenolate Traditional Name: 2-[2-(benzylthio)ethyliminomethyl]-4-nitro-phenolate Formula: C16H15N2O3S- MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H16N2O3S/c19-16-7-6-15(18(20)21)10-14(16)11-17-8-9-22-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12H2/p-1