2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-ethanoic acid

Systemtic Name: 2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-ethanoic acid Openeye Name: 2-(3-oxo-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-acetic acid CAS Name: 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetic acid IUPAC Name: 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetic acid Traditional Name: 2-(3-keto-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-acetic acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)N2C=CC3=C(C2=S)C(=O)NN3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)N2C=CC3=C(C2=S)C(=O)NN3

InChI

InChI=1S/C14H11N3O3S/c18-12-10-9(15-16-12)6-7-17(13(10)21)11(14(19)20)8-4-2-1-3-5-8/h1-7,11H,(H,19,20)(H2,15,16,18)