cyclopentane; 1-(3-methylphenyl)-5-oxidanylidene-4H-imidazole-2-thiolate; titanium(4+)

Systemtic Name: cyclopentane; 1-(3-methylphenyl)-5-oxidanylidene-4H-imidazole-2-thiolate; titanium(4+) Openeye Name: cyclopentane; 1-(m-tolyl)-5-oxo-4H-imidazole-2-thiolate; titanium(4+) CAS Name: cyclopentane; 1-(3-methylphenyl)-5-oxo-4H-imidazole-2-thiolate; titanium(4+) IUPAC Name: cyclopentane; 1-(3-methylphenyl)-5-oxo-4H-imidazole-2-thiolate; titanium(4+) Traditional Name: cyclopentane; 5-keto-1-(m-tolyl)-2-imidazoline-2-thiolate; titanium(4+) Formula: C35H32N6O3S3Ti+ MolecularWeight: 728.72898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CN=C2[S-].CC1=CC(=CC=C1)N2C(=O)CN=C2[S-].CC1=CC(=CC=C1)N2C(=O)CN=C2[S-].[CH]1[CH][CH][CH][CH]1.[Ti+4]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)CN=C2[S-].CC1=CC(=CC=C1)N2C(=O)CN=C2[S-].CC1=CC(=CC=C1)N2C(=O)CN=C2[S-].[CH]1[CH][CH][CH][CH]1.[Ti+4]

InChI

InChI=1S/3C10H10N2OS.C5H5.Ti/c3*1-7-3-2-4-8(5-7)12-9(13)6-11-10(12)14;1-2-4-5-3-1;/h3*2-5H,6H2,1H3,(H,11,14);1-5H;/q;;;;+4/p-3