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

Systemtic Name: cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-yl-6-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-yl-6-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione CAS Name: cyclopenta-1,3-diene; 4-(1-cyclopenta-1,3-dienyl)-6-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-yl-6-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-yl-6-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Formula: C21H20FeN2OS MolecularWeight: 404.3063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(NC(=S)N2)C3=CC=C[CH-]3.[CH-]1C=CC=C1.[Fe+2]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(NC(=S)N2)C3=CC=C[CH-]3.[CH-]1C=CC=C1.[Fe+2]

InChI

InChI=1S/C16H15N2OS.C5H5.Fe/c1-19-13-8-6-12(7-9-13)15-10-14(17-16(20)18-15)11-4-2-3-5-11;1-2-4-5-3-1;/h2-10,14H,1H3,(H2,17,18,20);1-5H;/q2*-1;+2