cyclopentane; 3-(2-cyclopentylethynyl)-5-phenyl-1,2-thiazole-4-carbonitrile; iron(2+)

Systemtic Name: cyclopentane; 3-(2-cyclopentylethynyl)-5-phenyl-1,2-thiazole-4-carbonitrile; iron(2+) Openeye Name: ferrous; cyclopentane; 3-(2-cyclopentylethynyl)-5-phenyl-isothiazole-4-carbonitrile CAS Name: cyclopentane; 3-(2-cyclopentylethynyl)-5-phenyl-4-isothiazolecarbonitrile; iron(2+) IUPAC Name: cyclopentane; 3-(2-cyclopentylethynyl)-5-phenyl-1,2-thiazole-4-carbonitrile; iron(2+) Traditional Name: ferrous; cyclopentane; 3-(2-cyclopentylethynyl)-5-phenyl-isothiazole-4-carbonitrile Formula: C22H14FeN2S+2 MolecularWeight: 394.26996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NS2)C#C[C]3[CH][CH][CH][CH]3)C#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NS2)C#C[C]3[CH][CH][CH][CH]3)C#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C17H9N2S.C5H5.Fe/c18-12-15-16(11-10-13-6-4-5-7-13)19-20-17(15)14-8-2-1-3-9-14;1-2-4-5-3-1;/h1-9H;1-5H;/q;;+2