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

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-2-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-methyl-4-nitro-pyrazole-3-carboxamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C18H21N5O3S/c1-22-15(13(8-19-22)23(25)26)16(24)21-17-20-14(9-27-17)18-5-10-2-11(6-18)4-12(3-10)7-18/h8-12H,2-7H2,1H3,(H,20,21,24)