2-[5-nitro-2-(pyridin-3-ylsulfanylmethyl)imidazol-1-yl]ethyl ethanoate

Systemtic Name: 2-[5-nitro-2-(pyridin-3-ylsulfanylmethyl)imidazol-1-yl]ethyl ethanoate Openeye Name: 2-[5-nitro-2-(3-pyridylsulfanylmethyl)imidazol-1-yl]ethyl acetate CAS Name: acetic acid 2-[5-nitro-2-[(3-pyridinylthio)methyl]-1-imidazolyl]ethyl ester IUPAC Name: 2-[5-nitro-2-(pyridin-3-ylsulfanylmethyl)imidazol-1-yl]ethyl acetate Traditional Name: acetic acid 2-[5-nitro-2-[(3-pyridylthio)methyl]imidazol-1-yl]ethyl ester Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=CN=C1CSC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCN1C(=CN=C1CSC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4S/c1-10(18)21-6-5-16-12(15-8-13(16)17(19)20)9-22-11-3-2-4-14-7-11/h2-4,7-8H,5-6,9H2,1H3