2-chloranyl-6-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]pyridine-4-carboxylic acid

Systemtic Name: 2-chloranyl-6-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]pyridine-4-carboxylic acid Openeye Name: 2-chloro-6-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]pyridine-4-carboxylic acid CAS Name: 2-chloro-6-[3-chloro-4-[(2-methylphenyl)-sulfanylidenemethyl]anilino]-4-pyridinecarboxylic acid IUPAC Name: 2-chloro-6-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]pyridine-4-carboxylic acid Traditional Name: 2-chloro-6-[3-chloro-4-(2-methylthiobenzoyl)anilino]isonicotinic acid Formula: C20H14Cl2N2O2S MolecularWeight: 417.30836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=NC(=CC(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=NC(=CC(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C20H14Cl2N2O2S/c1-11-4-2-3-5-14(11)19(27)15-7-6-13(10-16(15)21)23-18-9-12(20(25)26)8-17(22)24-18/h2-10H,1H3,(H,23,24)(H,25,26)