2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Openeye Name: 2-[(allylamino)-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]methylene]propanedinitrile CAS Name: 2-[[(2-chloro-6-fluorophenyl)methylthio]-(prop-2-enylamino)methylidene]propanedinitrile IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Traditional Name: 2-[(allylamino)-[(2-chloro-6-fluoro-benzyl)thio]methylene]malononitrile Formula: C14H11ClFN3S MolecularWeight: 307.773643

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=C(C#N)C#N)SCC1=C(C=CC=C1Cl)F

Isomeric SMILES

C=CCNC(=C(C#N)C#N)SCC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C14H11ClFN3S/c1-2-6-19-14(10(7-17)8-18)20-9-11-12(15)4-3-5-13(11)16/h2-5,19H,1,6,9H2