N-(2-adamantyl)-4-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-(2-adamantyl)-4-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-(2-adamantyl)-4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-(2-adamantyl)-4-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-(2-adamantyl)-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-(2-adamantyl)-4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C21H26ClN3OS MolecularWeight: 403.96864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NC3C4CC5CC(C4)CC3C5)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NC3C4CC5CC(C4)CC3C5)C)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-11-19(22)12(2)25(24-11)9-15-8-18(27-10-15)21(26)23-20-16-4-13-3-14(6-16)7-17(20)5-13/h8,10,13-14,16-17,20H,3-7,9H2,1-2H3,(H,23,26)