2-[2-[[2,4-bis(bromanyl)-6-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[[2,4-bis(bromanyl)-6-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2,4-dibromo-6-methyl-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2,4-dibromo-6-methylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2,4-dibromo-6-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2,4-dibromo-6-methyl-anilino)-2-keto-ethyl]thio]nicotinic acid Formula: C15H12Br2N2O3S MolecularWeight: 460.14038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=C(C=CC=N2)C(=O)O)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=C(C=CC=N2)C(=O)O)Br)Br

InChI

InChI=1S/C15H12Br2N2O3S/c1-8-5-9(16)6-11(17)13(8)19-12(20)7-23-14-10(15(21)22)3-2-4-18-14/h2-6H,7H2,1H3,(H,19,20)(H,21,22)