N-(2-azanylethyl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-azanylethyl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-aminoethyl)-2-[(5-nitro-2-pyridyl)sulfanyl]acetamide CAS Name: N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)thio]acetamide IUPAC Name: N-(2-aminoethyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-aminoethyl)-2-[(5-nitro-2-pyridyl)thio]acetamide Formula: C9H12N4O3S MolecularWeight: 256.28158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1[N+](=O)[O-])SCC(=O)NCCN

Isomeric SMILES

C1=CC(=NC=C1[N+](=O)[O-])SCC(=O)NCCN

InChI

InChI=1S/C9H12N4O3S/c10-3-4-11-8(14)6-17-9-2-1-7(5-12-9)13(15)16/h1-2,5H,3-4,6,10H2,(H,11,14)