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

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-1-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)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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