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

Systemtic Name: 4-[2,5-bis(4-methylphenyl)pyrazol-3-yl]-3-(5-bromanylthiophen-2-yl)-1-phenyl-pyrazole Openeye Name: 4-[2,5-bis(p-tolyl)pyrazol-3-yl]-3-(5-bromo-2-thienyl)-1-phenyl-pyrazole CAS Name: 4-[2,5-bis(4-methylphenyl)-3-pyrazolyl]-3-(5-bromo-2-thiophenyl)-1-phenylpyrazole IUPAC Name: 4-[2,5-bis(4-methylphenyl)pyrazol-3-yl]-3-(5-bromothiophen-2-yl)-1-phenylpyrazole Traditional Name: 4-[2,5-bis(p-tolyl)pyrazol-3-yl]-3-(5-bromo-2-thienyl)-1-phenyl-pyrazole Formula: C30H23BrN4S MolecularWeight: 551.49942

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)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)C3=CN(N=C3C4=CC=C(S4)Br)C5=CC=CC=C5)C6=CC=C(C=C6)C

InChI

InChI=1S/C30H23BrN4S/c1-20-8-12-22(13-9-20)26-18-27(35(32-26)24-14-10-21(2)11-15-24)25-19-34(23-6-4-3-5-7-23)33-30(25)28-16-17-29(31)36-28/h3-19H,1-2H3