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

Systemtic Name: chloranyltitanium(3+); 1-(4-chlorophenyl)-5-oxidanylidene-4H-imidazole-2-thiolate; cyclopentane Openeye Name: 1-(4-chlorophenyl)-5-oxo-4H-imidazole-2-thiolate; chlorotitanium(3+); cyclopentane CAS Name: 1-(4-chlorophenyl)-5-oxo-4H-imidazole-2-thiolate; chlorotitanium(3+); cyclopentane IUPAC Name: 1-(4-chlorophenyl)-5-oxo-4H-imidazole-2-thiolate; chlorotitanium(3+); cyclopentane Traditional Name: 1-(4-chlorophenyl)-5-keto-2-imidazoline-2-thiolate; chlorotitanium(3+); cyclopentane Formula: C19H16Cl2N2OSTi+2 MolecularWeight: 439.18114

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C9H7ClN2OS.2C5H5.ClH.Ti/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14;2*1-2-4-5-3-1;;/h1-4H,5H2,(H,11,14);2*1-5H;1H;/q;;;;+4/p-2