2-[3-oxidanylidene-3-[(2-phenylsulfanylphenyl)amino]propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-oxidanylidene-3-[(2-phenylsulfanylphenyl)amino]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-(2-phenylsulfanylanilino)propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[2-(phenylthio)anilino]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-oxo-3-(2-phenylsulfanylanilino)propyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[2-(phenylthio)anilino]propyl]pyrazole-3-carboxylic acid Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C19H17N3O3S/c23-18(11-13-22-16(19(24)25)10-12-20-22)21-15-8-4-5-9-17(15)26-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,21,23)(H,24,25)