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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=N1)[S-])CC2=CC=CC=C2.C1C(=O)N(C(=N1)[S-])CC2=CC=CC=C2.C1C(=O)N(C(=N1)[S-])CC2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[Ti+4]

Isomeric SMILES

C1C(=O)N(C(=N1)[S-])CC2=CC=CC=C2.C1C(=O)N(C(=N1)[S-])CC2=CC=CC=C2.C1C(=O)N(C(=N1)[S-])CC2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[Ti+4]

InChI

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