2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-chloranyl-2-fluoranyl-phenyl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-chloranyl-2-fluoranyl-phenyl)pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(3-chloro-2-fluoro-phenyl)pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(3-chloro-2-fluorophenyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(3-chloro-2-fluorophenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(3-chloro-2-fluoro-phenyl)nicotinamide Formula: C21H15ClFN3O4S MolecularWeight: 459.877903

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC4=C(C(=CC=C4)Cl)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC4=C(C(=CC=C4)Cl)F

InChI

InChI=1S/C21H15ClFN3O4S/c22-14-4-1-5-15(19(14)23)26-20(28)13-3-2-8-24-21(13)31-10-18(27)25-12-6-7-16-17(9-12)30-11-29-16/h1-9H,10-11H2,(H,25,27)(H,26,28)