(2-chlorophenyl) 2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (2-chlorophenyl) 2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (2-chlorophenyl) 2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (2-chlorophenyl) ester IUPAC Name: (2-chlorophenyl) 2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]nicotinic acid (2-chlorophenyl) ester Formula: C21H16Cl2N2O3S MolecularWeight: 447.33434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C21H16Cl2N2O3S/c1-13-8-9-14(11-17(13)23)25-19(26)12-29-20-15(5-4-10-24-20)21(27)28-18-7-3-2-6-16(18)22/h2-11H,12H2,1H3,(H,25,26)