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

Systemtic Name: 3-[3-(5-bromanylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbaldehyde Openeye Name: 3-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]-5-(p-tolyl)-3,4-dihydropyrazole-2-carbaldehyde CAS Name: 3-[3-(5-bromo-2-thiophenyl)-1-phenyl-4-pyrazolyl]-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxaldehyde IUPAC Name: 3-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbaldehyde Traditional Name: 5-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]-3-(p-tolyl)-2-pyrazoline-1-carbaldehyde Formula: C24H19BrN4OS MolecularWeight: 491.40286

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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

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

InChI

InChI=1S/C24H19BrN4OS/c1-16-7-9-17(10-8-16)20-13-21(29(15-30)26-20)19-14-28(18-5-3-2-4-6-18)27-24(19)22-11-12-23(25)31-22/h2-12,14-15,21H,13H2,1H3