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

Systemtic Name: chloranyltitanium(3+); cyclopentane; 5-oxidanylidene-1-phenyl-4H-imidazole-2-thiolate Openeye Name: chlorotitanium(3+); cyclopentane; 5-oxo-1-phenyl-4H-imidazole-2-thiolate CAS Name: chlorotitanium(3+); cyclopentane; 5-oxo-1-phenyl-4H-imidazole-2-thiolate IUPAC Name: chlorotitanium(3+); cyclopentane; 5-oxo-1-phenyl-4H-imidazole-2-thiolate Traditional Name: chlorotitanium(3+); cyclopentane; 5-keto-1-phenyl-2-imidazoline-2-thiolate Formula: C19H17ClN2OSTi+2 MolecularWeight: 404.73608

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=N1)[S-])C2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.Cl[Ti+3]

Isomeric SMILES

C1C(=O)N(C(=N1)[S-])C2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.Cl[Ti+3]

InChI

InChI=1S/C9H8N2OS.2C5H5.ClH.Ti/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7;2*1-2-4-5-3-1;;/h1-5H,6H2,(H,10,13);2*1-5H;1H;/q;;;;+4/p-2