(E)-4-oxidanyl-2-oxidanylidene-4-(4-phenylsulfanyl-1H-pyrazol-5-yl)but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-(4-phenylsulfanyl-1H-pyrazol-5-yl)but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-(4-phenylsulfanyl-1H-pyrazol-5-yl)but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[4-(phenylthio)-1H-pyrazol-5-yl]-3-butenoic acid IUPAC Name: (E)-4-hydroxy-2-oxo-4-(4-phenylsulfanyl-1H-pyrazol-5-yl)but-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[4-(phenylthio)-1H-pyrazol-5-yl]but-3-enoic acid Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NN=C2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NN=C2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H10N2O4S/c16-9(6-10(17)13(18)19)12-11(7-14-15-12)20-8-4-2-1-3-5-8/h1-7,16H,(H,14,15)(H,18,19)/b9-6+