2-[(4-tert-butylphenyl)methylsulfanyl-[(4-fluorophenyl)amino]methylidene]propanedinitrile

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl-[(4-fluorophenyl)amino]methylidene]propanedinitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl-(4-fluoroanilino)methylene]propanedinitrile CAS Name: 2-[[(4-tert-butylphenyl)methylthio]-(4-fluoroanilino)methylidene]propanedinitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl-(4-fluoroanilino)methylidene]propanedinitrile Traditional Name: 2-[[(4-tert-butylbenzyl)thio]-(4-fluoroanilino)methylene]malononitrile Formula: C21H20FN3S MolecularWeight: 365.467003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3S/c1-21(2,3)17-6-4-15(5-7-17)14-26-20(16(12-23)13-24)25-19-10-8-18(22)9-11-19/h4-11,25H,14H2,1-3H3