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

Systemtic Name: cyclopentane; 5-oxidanylidene-1-phenyl-4H-imidazole-2-thiolate; titanium(4+) Openeye Name: cyclopentane; 5-oxo-1-phenyl-4H-imidazole-2-thiolate; titanium(4+) CAS Name: cyclopentane; 5-oxo-1-phenyl-4H-imidazole-2-thiolate; titanium(4+) IUPAC Name: cyclopentane; 5-oxo-1-phenyl-4H-imidazole-2-thiolate; titanium(4+) Traditional Name: cyclopentane; 5-keto-1-phenyl-2-imidazoline-2-thiolate; titanium(4+) Formula: C32H26N6O3S3Ti+ MolecularWeight: 686.64924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C9H8N2OS.C5H5.Ti/c3*12-8-6-10-9(13)11(8)7-4-2-1-3-5-7;1-2-4-5-3-1;/h3*1-5H,6H2,(H,10,13);1-5H;/q;;;;+4/p-3