5-azanylidene-2,3-di(cyclopentyl)-4-methylsulfanyl-cyclopenta-1,3-diene-1-carbonitrile; cyclopentane; iron(2+)

Systemtic Name: 5-azanylidene-2,3-di(cyclopentyl)-4-methylsulfanyl-cyclopenta-1,3-diene-1-carbonitrile; cyclopentane; iron(2+) Openeye Name: diferrous; cyclopentane; 2,3-di(cyclopentyl)-5-imino-4-methylsulfanyl-cyclopenta-1,3-diene-1-carbonitrile CAS Name: cyclopentane; 2,3-di(cyclopentyl)-5-imino-4-(methylthio)-1-cyclopenta-1,3-dienecarbonitrile; iron(2+) IUPAC Name: cyclopentane; 2,3-di(cyclopentyl)-5-imino-4-methylsulfanylcyclopenta-1,3-diene-1-carbonitrile; iron(2+) Traditional Name: diferrous; cyclopentane; 2,3-di(cyclopentyl)-5-imino-4-(methylthio)cyclopenta-1,3-diene-1-carbonitrile Formula: C27H22Fe2N2S+4 MolecularWeight: 518.23198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C1=N)C#N)[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

CSC1=C(C(=C(C1=N)C#N)[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C17H12N2S.2C5H5.2Fe/c1-20-17-15(12-8-4-5-9-12)14(11-6-2-3-7-11)13(10-18)16(17)19;2*1-2-4-5-3-1;;/h2-9,19H,1H3;2*1-5H;;/q;;;2*+2