2-(3-nitropyridin-2-yl)ethanethioic S-acid

Systemtic Name: 2-(3-nitropyridin-2-yl)ethanethioic S-acid Openeye Name: 2-(3-nitro-2-pyridyl)ethanethioic S-acid CAS Name: 2-(3-nitro-2-pyridinyl)ethanethioic S-acid IUPAC Name: 2-(3-nitropyridin-2-yl)ethanethioic S-acid Traditional Name: 2-(3-nitro-2-pyridyl)thioacetic acid Formula: C7H6N2O3S MolecularWeight: 198.19914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CC(=O)S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)CC(=O)S)[N+](=O)[O-]

InChI

InChI=1S/C7H6N2O3S/c10-7(13)4-5-6(9(11)12)2-1-3-8-5/h1-3H,4H2,(H,10,13)