2-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(4-cyanoanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(4-cyanoanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(4-cyanoanilino)-2-keto-ethyl]thio]nicotinic acid Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C15H11N3O3S/c16-8-10-3-5-11(6-4-10)18-13(19)9-22-14-12(15(20)21)2-1-7-17-14/h1-7H,9H2,(H,18,19)(H,20,21)