chloranyltitanium(3+); cyclopentane; 1-(3-methylphenyl)-5-oxidanylidene-4H-imidazole-2-thiolate

Systemtic Name: chloranyltitanium(3+); cyclopentane; 1-(3-methylphenyl)-5-oxidanylidene-4H-imidazole-2-thiolate Openeye Name: chlorotitanium(3+); cyclopentane; 1-(m-tolyl)-5-oxo-4H-imidazole-2-thiolate CAS Name: chlorotitanium(3+); cyclopentane; 1-(3-methylphenyl)-5-oxo-4H-imidazole-2-thiolate IUPAC Name: chlorotitanium(3+); cyclopentane; 1-(3-methylphenyl)-5-oxo-4H-imidazole-2-thiolate Traditional Name: chlorotitanium(3+); cyclopentane; 5-keto-1-(m-tolyl)-2-imidazoline-2-thiolate Formula: C20H19ClN2OSTi+2 MolecularWeight: 418.76266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CN=C2[S-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.Cl[Ti+3]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)CN=C2[S-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.Cl[Ti+3]

InChI

InChI=1S/C10H10N2OS.2C5H5.ClH.Ti/c1-7-3-2-4-8(5-7)12-9(13)6-11-10(12)14;2*1-2-4-5-3-1;;/h2-5H,6H2,1H3,(H,11,14);2*1-5H;1H;/q;;;;+4/p-2