cyclopenta-1,3-diene; 1-(1-cyclopenta-2,4-dien-1-ylethyl)-3-methyl-imidazole-2-thione; iron

Systemtic Name: cyclopenta-1,3-diene; 1-(1-cyclopenta-2,4-dien-1-ylethyl)-3-methyl-imidazole-2-thione; iron Openeye Name: cyclopenta-1,3-diene; 1-(1-cyclopenta-2,4-dien-1-ylethyl)-3-methyl-imidazole-2-thione; iron CAS Name: cyclopenta-1,3-diene; 1-[1-(1-cyclopenta-2,4-dienyl)ethyl]-3-methyl-2-imidazolethione; iron IUPAC Name: cyclopenta-1,3-diene; 1-(1-cyclopenta-2,4-dien-1-ylethyl)-3-methylimidazole-2-thione; iron Traditional Name: cyclopenta-1,3-diene; 1-(1-cyclopenta-2,4-dien-1-ylethyl)-3-methyl-4-imidazoline-2-thione; iron Formula: C16H18FeN2S-2 MolecularWeight: 326.23752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC([C-]1C=CC=C1)N2C=CN(C2=S)C.[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

CC([C-]1C=CC=C1)N2C=CN(C2=S)C.[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C11H13N2S.C5H5.Fe/c1-9(10-5-3-4-6-10)13-8-7-12(2)11(13)14;1-2-4-5-3-1;/h3-9H,1-2H3;1-5H;/q2*-1;