2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-6-fluoro-benzonitrile CAS Name: 2-[2-[(2-cyanophenyl)methylthio]ethylamino]-6-fluorobenzonitrile IUPAC Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-6-fluorobenzonitrile Traditional Name: 2-[2-[(2-cyanobenzyl)thio]ethylamino]-6-fluoro-benzonitrile Formula: C17H14FN3S MolecularWeight: 311.376563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC2=C(C(=CC=C2)F)C#N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC2=C(C(=CC=C2)F)C#N)C#N

InChI

InChI=1S/C17H14FN3S/c18-16-6-3-7-17(15(16)11-20)21-8-9-22-12-14-5-2-1-4-13(14)10-19/h1-7,21H,8-9,12H2