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

Systemtic Name: 3-(5-bromanylthiophen-2-yl)-4-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-1-phenyl-pyrazole Openeye Name: 3-(5-bromo-2-thienyl)-1-phenyl-4-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]pyrazole CAS Name: 3-(5-bromo-2-thiophenyl)-4-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]-1-phenylpyrazole IUPAC Name: 3-(5-bromothiophen-2-yl)-4-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]-1-phenylpyrazole Traditional Name: 3-(5-bromo-2-thienyl)-1-phenyl-4-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]pyrazole Formula: C29H21BrN4S MolecularWeight: 537.47284

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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=CC=C6

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=CC=C6

InChI

InChI=1S/C29H21BrN4S/c1-20-12-14-21(15-13-20)25-18-26(34(31-25)23-10-6-3-7-11-23)24-19-33(22-8-4-2-5-9-22)32-29(24)27-16-17-28(30)35-27/h2-19H,1H3