cyclopentane; 4-cyclopentyl-5-(4-ethanoylphenyl)-2-methylsulfanyl-benzenecarbonitrile; iron(2+)

Systemtic Name: cyclopentane; 4-cyclopentyl-5-(4-ethanoylphenyl)-2-methylsulfanyl-benzenecarbonitrile; iron(2+) Openeye Name: ferrous; 5-(4-acetylphenyl)-4-cyclopentyl-2-methylsulfanyl-benzonitrile; cyclopentane CAS Name: 5-(4-acetylphenyl)-4-cyclopentyl-2-(methylthio)benzonitrile; cyclopentane; iron(2+) IUPAC Name: 5-(4-acetylphenyl)-4-cyclopentyl-2-methylsulfanylbenzonitrile; cyclopentane; iron(2+) Traditional Name: ferrous; 5-(4-acetylphenyl)-4-cyclopentyl-2-(methylthio)benzonitrile; cyclopentane Formula: C26H21FeNOS+2 MolecularWeight: 451.36104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=C(C=C(C(=C2)C#N)SC)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=C(C=C(C(=C2)C#N)SC)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C21H16NOS.C5H5.Fe/c1-14(23)15-7-9-17(10-8-15)19-11-18(13-22)21(24-2)12-20(19)16-5-3-4-6-16;1-2-4-5-3-1;/h3-12H,1-2H3;1-5H;/q;;+2