3-[[3-(5-chloranylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[3-(5-chloranylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-(5-chloro-2-thienyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-(5-chloro-2-thiophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-(5-chloro-2-thienyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(S3)Cl)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(S3)Cl)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H14ClN3O3S/c22-18-10-9-17(29-18)19-16(12-25(24-19)15-7-2-1-3-8-15)20(26)23-14-6-4-5-13(11-14)21(27)28/h1-12H,(H,23,26)(H,27,28)