cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-yl-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-yl-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-yl-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione CAS Name: cyclopenta-1,3-diene; 4-(1-cyclopenta-1,3-dienyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-yl-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-yl-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione Formula: C20H18FeN2S MolecularWeight: 374.28032

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1C2C=C(NC(=S)N2)C3=CC=CC=C3.[Fe+2]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1C2C=C(NC(=S)N2)C3=CC=CC=C3.[Fe+2]

InChI

InChI=1S/C15H13N2S.C5H5.Fe/c18-15-16-13(11-6-2-1-3-7-11)10-14(17-15)12-8-4-5-9-12;1-2-4-5-3-1;/h1-10,14H,(H2,16,17,18);1-5H;/q2*-1;+2