2-[1-(2-cyanophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-(2-cyanophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[1-(2-cyanophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(2-cyanophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(2-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[1-(2-cyanophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinic acid Formula: C17H11N3O4S MolecularWeight: 353.35194

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC=C2C#N)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2C#N)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C17H11N3O4S/c18-9-10-4-1-2-6-12(10)20-14(21)8-13(16(20)22)25-15-11(17(23)24)5-3-7-19-15/h1-7,13H,8H2,(H,23,24)