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

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C18H21IN4OS MolecularWeight: 468.35501

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)I

InChI

InChI=1S/C18H21IN4OS/c1-23-8-13(19)15(22-23)16(24)21-17-20-14(9-25-17)18-5-10-2-11(6-18)4-12(3-10)7-18/h8-12H,2-7H2,1H3,(H,20,21,24)