N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-2-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H23N5O3S/c1-2-23-16(14(9-20-23)24(26)27)17(25)22-18-21-15(10-28-18)19-6-11-3-12(7-19)5-13(4-11)8-19/h9-13H,2-8H2,1H3,(H,21,22,25)