2-oxidanyl-4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]benzoic acid Openeye Name: 2-hydroxy-4-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]benzoic acid CAS Name: 2-hydroxy-4-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]benzoic acid IUPAC Name: 2-hydroxy-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzoic acid Traditional Name: 2-hydroxy-4-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]benzoic acid Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NC4=CC(=C(C=C4)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NC4=CC(=C(C=C4)C(=O)O)O

InChI

InChI=1S/C21H15N3O3S/c25-18-11-15(8-9-17(18)21(26)27)22-12-14-13-24(16-5-2-1-3-6-16)23-20(14)19-7-4-10-28-19/h1-13,25H,(H,26,27)