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

Systemtic Name: cyclopentane; 3-(5-cyclopentyl-2-methyl-pyrazol-3-yl)-10-methyl-phenothiazine; iron(2+) Openeye Name: ferrous; cyclopentane; 3-(5-cyclopentyl-2-methyl-pyrazol-3-yl)-10-methyl-phenothiazine CAS Name: cyclopentane; 3-(5-cyclopentyl-2-methyl-3-pyrazolyl)-10-methylphenothiazine; iron(2+) IUPAC Name: cyclopentane; 3-(5-cyclopentyl-2-methylpyrazol-3-yl)-10-methylphenothiazine; iron(2+) Traditional Name: ferrous; cyclopentane; 3-(5-cyclopentyl-2-methyl-pyrazol-3-yl)-10-methyl-phenothiazine Formula: C27H23FeN3S+2 MolecularWeight: 477.40162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=CC(=NN3C)[C]4[CH][CH][CH][CH]4)SC5=CC=CC=C51.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=CC(=NN3C)[C]4[CH][CH][CH][CH]4)SC5=CC=CC=C51.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C22H18N3S.C5H5.Fe/c1-24-18-9-5-6-10-21(18)26-22-13-16(11-12-19(22)24)20-14-17(23-25(20)2)15-7-3-4-8-15;1-2-4-5-3-1;/h3-14H,1-2H3;1-5H;/q;;+2