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

Systemtic Name: 1-(4-chlorophenyl)-5-oxidanylidene-4H-imidazole-2-thiolate; cyclopentane; titanium(4+) Openeye Name: 1-(4-chlorophenyl)-5-oxo-4H-imidazole-2-thiolate; cyclopentane; titanium(4+) CAS Name: 1-(4-chlorophenyl)-5-oxo-4H-imidazole-2-thiolate; cyclopentane; titanium(4+) IUPAC Name: 1-(4-chlorophenyl)-5-oxo-4H-imidazole-2-thiolate; cyclopentane; titanium(4+) Traditional Name: 1-(4-chlorophenyl)-5-keto-2-imidazoline-2-thiolate; cyclopentane; titanium(4+) Formula: C32H23Cl3N6O3S3Ti+ MolecularWeight: 789.98442

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=N1)[S-])C2=CC=C(C=C2)Cl.C1C(=O)N(C(=N1)[S-])C2=CC=C(C=C2)Cl.C1C(=O)N(C(=N1)[S-])C2=CC=C(C=C2)Cl.[CH]1[CH][CH][CH][CH]1.[Ti+4]

Isomeric SMILES

C1C(=O)N(C(=N1)[S-])C2=CC=C(C=C2)Cl.C1C(=O)N(C(=N1)[S-])C2=CC=C(C=C2)Cl.C1C(=O)N(C(=N1)[S-])C2=CC=C(C=C2)Cl.[CH]1[CH][CH][CH][CH]1.[Ti+4]

InChI

InChI=1S/3C9H7ClN2OS.C5H5.Ti/c3*10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14;1-2-4-5-3-1;/h3*1-4H,5H2,(H,11,14);1-5H;/q;;;;+4/p-3