3-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[(2-azanyl-4-bromanyl-phenyl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(2-amino-4-bromo-phenyl)sulfanylmethyl]-4-fluoro-benzonitrile CAS Name: 3-[[(2-amino-4-bromophenyl)thio]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(2-amino-4-bromophenyl)sulfanylmethyl]-4-fluorobenzonitrile Traditional Name: 3-[[(2-amino-4-bromo-phenyl)thio]methyl]-4-fluoro-benzonitrile Formula: C14H10BrFN2S MolecularWeight: 337.210003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CSC2=C(C=C(C=C2)Br)N)F

Isomeric SMILES

C1=CC(=C(C=C1C#N)CSC2=C(C=C(C=C2)Br)N)F

InChI

InChI=1S/C14H10BrFN2S/c15-11-2-4-14(13(18)6-11)19-8-10-5-9(7-17)1-3-12(10)16/h1-6H,8,18H2