N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-bromanyl-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-bromanyl-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-bromo-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-4-bromo-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-bromo-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-bromo-2,5-dimethyl-pyrazole-3-carboxamide Formula: C19H23BrN4OS MolecularWeight: 435.38112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)C

InChI

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