10-butyl-3-(5-cyclopentyl-1-methyl-pyrazol-3-yl)phenothiazine; cyclopentane; iron(2+)

Systemtic Name: 10-butyl-3-(5-cyclopentyl-1-methyl-pyrazol-3-yl)phenothiazine; cyclopentane; iron(2+) Openeye Name: ferrous; 10-butyl-3-(5-cyclopentyl-1-methyl-pyrazol-3-yl)phenothiazine; cyclopentane CAS Name: 10-butyl-3-(5-cyclopentyl-1-methyl-3-pyrazolyl)phenothiazine; cyclopentane; iron(2+) IUPAC Name: 10-butyl-3-(5-cyclopentyl-1-methylpyrazol-3-yl)phenothiazine; cyclopentane; iron(2+) Traditional Name: ferrous; 10-butyl-3-(5-cyclopentyl-1-methyl-pyrazol-3-yl)phenothiazine; cyclopentane Formula: C30H29FeN3S+2 MolecularWeight: 519.48136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C3=NN(C(=C3)[C]4[CH][CH][CH][CH]4)C)SC5=CC=CC=C51.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C3=NN(C(=C3)[C]4[CH][CH][CH][CH]4)C)SC5=CC=CC=C51.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C25H24N3S.C5H5.Fe/c1-3-4-15-28-21-11-7-8-12-24(21)29-25-16-19(13-14-22(25)28)20-17-23(27(2)26-20)18-9-5-6-10-18;1-2-4-5-3-1;/h5-14,16-17H,3-4,15H2,1-2H3;1-5H;/q;;+2