3-bromanyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]adamantane-1-carboxamide

Systemtic Name: 3-bromanyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]adamantane-1-carboxamide Openeye Name: 3-bromo-N-[1-[2-(4-methylthiazol-5-yl)ethyl]pyrazol-4-yl]adamantane-1-carboxamide CAS Name: 3-bromo-N-[1-[2-(4-methyl-5-thiazolyl)ethyl]-4-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: 3-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]adamantane-1-carboxamide Traditional Name: 3-bromo-N-[1-[2-(4-methylthiazol-5-yl)ethyl]pyrazol-4-yl]adamantane-1-carboxamide Formula: C20H25BrN4OS MolecularWeight: 449.4077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCN2C=C(C=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC1=C(SC=N1)CCN2C=C(C=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C20H25BrN4OS/c1-13-17(27-12-22-13)2-3-25-10-16(9-23-25)24-18(26)19-5-14-4-15(6-19)8-20(21,7-14)11-19/h9-10,12,14-15H,2-8,11H2,1H3,(H,24,26)