3-[(2-azanyl-6-chloranyl-phenyl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[(2-azanyl-6-chloranyl-phenyl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(2-amino-6-chloro-phenyl)sulfanylmethyl]-4-fluoro-benzonitrile CAS Name: 3-[[(2-amino-6-chlorophenyl)thio]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(2-amino-6-chlorophenyl)sulfanylmethyl]-4-fluorobenzonitrile Traditional Name: 3-[[(2-amino-6-chloro-phenyl)thio]methyl]-4-fluoro-benzonitrile Formula: C14H10ClFN2S MolecularWeight: 292.759003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)SCC2=C(C=CC(=C2)C#N)F)N

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)SCC2=C(C=CC(=C2)C#N)F)N

InChI

InChI=1S/C14H10ClFN2S/c15-11-2-1-3-13(18)14(11)19-8-10-6-9(7-17)4-5-12(10)16/h1-6H,8,18H2