2-[2-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[2-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[2-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]cinchoninic acid Formula: C25H17N3O2S MolecularWeight: 423.48638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC4=NC5=CC=CC=C5C(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC4=NC5=CC=CC=C5C(=C4)C(=O)O

InChI

InChI=1S/C25H17N3O2S/c29-25(30)21-15-18(26-22-10-5-4-9-20(21)22)13-12-17-16-28(19-7-2-1-3-8-19)27-24(17)23-11-6-14-31-23/h1-16H,(H,29,30)