4-[2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-5-phenyl-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 4-[2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-5-phenyl-1,3-thiazol-4-yl]benzoic acid Openeye Name: 4-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-5-phenyl-thiazol-4-yl]benzoic acid CAS Name: 4-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-5-phenyl-4-thiazolyl]benzoic acid IUPAC Name: 4-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-5-phenyl-1,3-thiazol-4-yl]benzoic acid Traditional Name: 4-[2-(5-keto-3-methyl-2-pyrazolin-1-yl)-5-phenyl-thiazol-4-yl]benzoic acid Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=NC(=C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1)C2=NC(=C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H15N3O3S/c1-12-11-16(24)23(22-12)20-21-17(13-7-9-15(10-8-13)19(25)26)18(27-20)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,25,26)