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

Systemtic Name: 3-[(2-azanyl-4-methyl-phenyl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(2-amino-4-methyl-phenyl)sulfanylmethyl]-4-fluoro-benzonitrile CAS Name: 3-[[(2-amino-4-methylphenyl)thio]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(2-amino-4-methylphenyl)sulfanylmethyl]-4-fluorobenzonitrile Traditional Name: 3-[[(2-amino-4-methyl-phenyl)thio]methyl]-4-fluoro-benzonitrile Formula: C15H13FN2S MolecularWeight: 272.340523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=C(C=CC(=C2)C#N)F)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=C(C=CC(=C2)C#N)F)N

InChI

InChI=1S/C15H13FN2S/c1-10-2-5-15(14(18)6-10)19-9-12-7-11(8-17)3-4-13(12)16/h2-7H,9,18H2,1H3