2-[3-[(5-nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-[(5-nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-[(5-nitro-2-pyridyl)amino]-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-[(5-nitro-2-pyridinyl)amino]-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-[(5-nitropyridin-2-yl)amino]pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-[(5-nitro-2-pyridyl)amino]-2-pyridyl]thio]acetic acid Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)O)NC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)O)NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O4S/c17-11(18)7-21-12-9(2-1-5-13-12)15-10-4-3-8(6-14-10)16(19)20/h1-6H,7H2,(H,14,15)(H,17,18)