N-hexyl-3-nitro-1-(5-nitro-1,3-thiazol-2-yl)pyrazole-4-carboxamide

Systemtic Name: N-hexyl-3-nitro-1-(5-nitro-1,3-thiazol-2-yl)pyrazole-4-carboxamide Openeye Name: N-hexyl-3-nitro-1-(5-nitrothiazol-2-yl)pyrazole-4-carboxamide CAS Name: N-hexyl-3-nitro-1-(5-nitro-2-thiazolyl)-4-pyrazolecarboxamide IUPAC Name: N-hexyl-3-nitro-1-(5-nitro-1,3-thiazol-2-yl)pyrazole-4-carboxamide Traditional Name: N-hexyl-3-nitro-1-(5-nitrothiazol-2-yl)pyrazole-4-carboxamide Formula: C13H16N6O5S MolecularWeight: 368.36834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CN(N=C1[N+](=O)[O-])C2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC(=O)C1=CN(N=C1[N+](=O)[O-])C2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O5S/c1-2-3-4-5-6-14-12(20)9-8-17(16-11(9)19(23)24)13-15-7-10(25-13)18(21)22/h7-8H,2-6H2,1H3,(H,14,20)