S-(3-nitropyridin-2-yl) 2,6-bis(azanyl)hexanethioate

Systemtic Name: S-(3-nitropyridin-2-yl) 2,6-bis(azanyl)hexanethioate Openeye Name: S-(3-nitro-2-pyridyl) 2,6-diaminohexanethioate CAS Name: 2,6-diaminohexanethioic acid S-(3-nitro-2-pyridinyl) ester IUPAC Name: S-(3-nitropyridin-2-yl) 2,6-diaminohexanethioate Traditional Name: 2,6-diaminohexanethioic acid S-(3-nitro-2-pyridyl) ester Formula: C11H16N4O3S MolecularWeight: 284.33474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O3S/c12-6-2-1-4-8(13)11(16)19-10-9(15(17)18)5-3-7-14-10/h3,5,7-8H,1-2,4,6,12-13H2