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

Systemtic Name: [3-[3-(5-bromanylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenyl-methanone Openeye Name: [3-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-phenyl-methanone CAS Name: [3-[3-(5-bromo-2-thiophenyl)-1-phenyl-4-pyrazolyl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone IUPAC Name: [3-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone Traditional Name: [5-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]-3-(p-tolyl)-2-pyrazolin-1-yl]-phenyl-methanone Formula: C30H23BrN4OS MolecularWeight: 567.49882

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

InChI

InChI=1S/C30H23BrN4OS/c1-20-12-14-21(15-13-20)25-18-26(35(32-25)30(36)22-8-4-2-5-9-22)24-19-34(23-10-6-3-7-11-23)33-29(24)27-16-17-28(31)37-27/h2-17,19,26H,18H2,1H3