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

Systemtic Name: 2-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(3-iodoanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(3-iodoanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3-iodoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(3-iodoanilino)-2-keto-ethyl]thio]nicotinic acid Formula: C14H11IN2O3S MolecularWeight: 414.21821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)I)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H11IN2O3S/c15-9-3-1-4-10(7-9)17-12(18)8-21-13-11(14(19)20)5-2-6-16-13/h1-7H,8H2,(H,17,18)(H,19,20)