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

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-bromanyl-1-ethyl-pyrazole-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-bromo-1-ethyl-pyrazole-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-4-bromo-1-ethyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-bromo-1-ethylpyrazole-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-bromo-1-ethyl-pyrazole-3-carboxamide Formula: C19H23BrN4OS MolecularWeight: 435.38112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)Br

InChI

InChI=1S/C19H23BrN4OS/c1-2-24-9-14(20)16(23-24)17(25)22-18-21-15(10-26-18)19-6-11-3-12(7-19)5-13(4-11)8-19/h9-13H,2-8H2,1H3,(H,21,22,25)