1-[3-[3-(5-bromanylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[3-[3-(5-bromanylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[3-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-[3-(5-bromo-2-thiophenyl)-1-phenyl-4-pyrazolyl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[3-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[5-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]-3-(p-tolyl)-2-pyrazolin-1-yl]ethanone Formula: C25H21BrN4OS MolecularWeight: 505.42944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=C(S4)Br)C5=CC=CC=C5)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=C(S4)Br)C5=CC=CC=C5)C(=O)C

InChI

InChI=1S/C25H21BrN4OS/c1-16-8-10-18(11-9-16)21-14-22(30(27-21)17(2)31)20-15-29(19-6-4-3-5-7-19)28-25(20)23-12-13-24(26)32-23/h3-13,15,22H,14H2,1-2H3