1,3-benzothiazol-2-ylazanide; bis(chloranyl)iridium(1+)

Systemtic Name: 1,3-benzothiazol-2-ylazanide; bis(chloranyl)iridium(1+) Openeye Name: 1,3-benzothiazol-2-ylazanide; dichloroiridium(1+) CAS Name: 1,3-benzothiazol-2-ylazanide; dichloroiridium(1+) IUPAC Name: 1,3-benzothiazol-2-ylazanide; dichloroiridium(1+) Traditional Name: 1,3-benzothiazol-2-ylazanide; dichloroiridium(1+) Formula: C28H20Cl2IrN8S4-3 MolecularWeight: 859.895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)[NH-].C1=CC=C2C(=C1)N=C(S2)[NH-].C1=CC=C2C(=C1)N=C(S2)[NH-].C1=CC=C2C(=C1)N=C(S2)[NH-].Cl[Ir+]Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[NH-].C1=CC=C2C(=C1)N=C(S2)[NH-].C1=CC=C2C(=C1)N=C(S2)[NH-].C1=CC=C2C(=C1)N=C(S2)[NH-].Cl[Ir+]Cl

InChI

InChI=1S/4C7H5N2S.2ClH.Ir/c4*8-7-9-5-3-1-2-4-6(5)10-7;;;/h4*1-4H,(H-,8,9);2*1H;/q4*-1;;;+3/p-2