N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]adamantane-1-carboxamide Formula: C19H22BrN3OS MolecularWeight: 420.36648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=NN4CC5=CC(=CS5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=NN4CC5=CC(=CS5)Br

InChI

InChI=1S/C19H22BrN3OS/c20-15-6-16(25-11-15)10-23-17(1-2-21-23)22-18(24)19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,11-14H,3-5,7-10H2,(H,22,24)