1,3-benzothiazole-2-thiolate; gadolinium(3+)

Systemtic Name: 1,3-benzothiazole-2-thiolate; gadolinium(3+) Openeye Name: 1,3-benzothiazole-2-thiolate; gadolinium(3+) CAS Name: 1,3-benzothiazole-2-thiolate; gadolinium(3+) IUPAC Name: 1,3-benzothiazole-2-thiolate; gadolinium(3+) Traditional Name: 1,3-benzothiazole-2-thiolate; gadolinium(3+) Formula: C21H12GdN3S6 MolecularWeight: 655.98008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Gd+3]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Gd+3]

InChI

InChI=1S/3C7H5NS2.Gd/c3*9-7-8-5-3-1-2-4-6(5)10-7;/h3*1-4H,(H,8,9);/q;;;+3/p-3