2-[5-nitro-2-(pyridin-4-ylsulfanylmethyl)imidazol-1-yl]ethyl ethanoate

Systemtic Name: 2-[5-nitro-2-(pyridin-4-ylsulfanylmethyl)imidazol-1-yl]ethyl ethanoate Openeye Name: 2-[5-nitro-2-(4-pyridylsulfanylmethyl)imidazol-1-yl]ethyl acetate CAS Name: acetic acid 2-[5-nitro-2-[(pyridin-4-ylthio)methyl]-1-imidazolyl]ethyl ester IUPAC Name: 2-[5-nitro-2-(pyridin-4-ylsulfanylmethyl)imidazol-1-yl]ethyl acetate Traditional Name: acetic acid 2-[5-nitro-2-[(4-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=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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