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

Systemtic Name: 1-(1-adamantyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(4,5-dimethylthiazol-2-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(4,5-dimethyl-2-thiazolyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(4,5-dimethylthiazol-2-yl)-4-nitro-pyrazole-3-carboxamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C

InChI

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