cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-2,3-dihydro-1,3-benzothiazole; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-2,3-dihydro-1,3-benzothiazole; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-2,3-dihydro-1,3-benzothiazole CAS Name: cyclopenta-1,3-diene; 2-(1-cyclopenta-2,4-dienyl)-2,3-dihydro-1,3-benzothiazole; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-2,3-dihydro-1,3-benzothiazole; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-2,3-dihydro-1,3-benzothiazole Formula: C17H15FeNS MolecularWeight: 321.2177

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=CC=C2C(=C1)NC(S2)[C-]3C=CC=C3.[Fe+2]

Isomeric SMILES

[CH-]1C=CC=C1.C1=CC=C2C(=C1)NC(S2)[C-]3C=CC=C3.[Fe+2]

InChI

InChI=1S/C12H10NS.C5H5.Fe/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12;1-2-4-5-3-1;/h1-8,12-13H;1-5H;/q2*-1;+2