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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=N1)[S-])CC2=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-])CC2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.Cl[Ti+3]

InChI

InChI=1S/C10H10N2OS.2C5H5.ClH.Ti/c13-9-6-11-10(14)12(9)7-8-4-2-1-3-5-8;2*1-2-4-5-3-1;;/h1-5H,6-7H2,(H,11,14);2*1-5H;1H;/q;;;;+4/p-2