[2-(azepan-1-yl)-2-oxo-ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate

Molecular Formula: C₁₈H₂₁N₅O₅S

InChI: InChI=1/C18H21N5O5S/c1-21-12-19-20-18(21)29-15-7-6-13(10-14(15)23(26)27)17(25)28-11-16(24)22-8-4-2-3-5-9-22/h6-7,10,12H,2-5,8-9,11H2,1H3

InChIKey: InChIKey=FBYLHBRADSSZMG-UHFFFAOYAZ
SMILES: CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCCC3)[N+](=O)[O-]

Names:
    [2-(azepan-1-yl)-2-oxo-ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate

Registries:
    PubChem CID 4856330
    PubChem ID 9810616