2-[(3-bromophenyl)methylsulfanyl-[(4-fluorophenyl)amino]methylidene]propanedinitrile

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl-[(4-fluorophenyl)amino]methylidene]propanedinitrile Openeye Name: 2-[(3-bromophenyl)methylsulfanyl-(4-fluoroanilino)methylene]propanedinitrile CAS Name: 2-[[(3-bromophenyl)methylthio]-(4-fluoroanilino)methylidene]propanedinitrile IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl-(4-fluoroanilino)methylidene]propanedinitrile Traditional Name: 2-[[(3-bromobenzyl)thio]-(4-fluoroanilino)methylene]malononitrile Formula: C17H11BrFN3S MolecularWeight: 388.256743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H11BrFN3S/c18-14-3-1-2-12(8-14)11-23-17(13(9-20)10-21)22-16-6-4-15(19)5-7-16/h1-8,22H,11H2