1-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone

Systemtic Name: 1-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Openeye Name: 1-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-2-phenyl-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone CAS Name: 1-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone IUPAC Name: 1-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Traditional Name: 1-[4-(4-bromophenyl)-4-hydroxy-piperidino]-2-phenyl-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Formula: C25H23BrN4O2S MolecularWeight: 523.44472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)C(C3=CC=CC=C3)N4C=CC5=C(C4=S)C=NN5

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)C(C3=CC=CC=C3)N4C=CC5=C(C4=S)C=NN5

InChI

InChI=1S/C25H23BrN4O2S/c26-19-8-6-18(7-9-19)25(32)11-14-29(15-12-25)23(31)22(17-4-2-1-3-5-17)30-13-10-21-20(24(30)33)16-27-28-21/h1-10,13,16,22,32H,11-12,14-15H2,(H,27,28)