(E)-3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-2-cyano-3-(3-methoxypropylamino)prop-2-enamide

Systemtic Name: (E)-3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-2-cyano-3-(3-methoxypropylamino)prop-2-enamide Openeye Name: (E)-3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-2-cyano-3-(3-methoxypropylamino)prop-2-enamide CAS Name: (E)-3-[(2-chloro-6-fluorophenyl)methylthio]-2-cyano-3-(3-methoxypropylamino)-2-propenamide IUPAC Name: (E)-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-2-cyano-3-(3-methoxypropylamino)prop-2-enamide Traditional Name: (E)-3-[(2-chloro-6-fluoro-benzyl)thio]-2-cyano-3-(3-methoxypropylamino)acrylamide Formula: C15H17ClFN3O2S MolecularWeight: 357.830783

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=C(C#N)C(=O)N)SCC1=C(C=CC=C1Cl)F

Isomeric SMILES

COCCCN/C(=C(/C#N)\C(=O)N)/SCC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C15H17ClFN3O2S/c1-22-7-3-6-20-15(10(8-18)14(19)21)23-9-11-12(16)4-2-5-13(11)17/h2,4-5,20H,3,6-7,9H2,1H3,(H2,19,21)/b15-10+