2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine; iridium

Systemtic Name: 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine; iridium Openeye Name: 2-(3H-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine; iridium CAS Name: 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine; iridium IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine; iridium Traditional Name: 2-(3H-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine; iridium Formula: C42H21F9IrN3S3-3 MolecularWeight: 1027.033869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[C-]=C(S2)C3=NC=C(C=C3)C(F)(F)F.C1=CC=C2C(=C1)[C-]=C(S2)C3=NC=C(C=C3)C(F)(F)F.C1=CC=C2C(=C1)[C-]=C(S2)C3=NC=C(C=C3)C(F)(F)F.[Ir]

Isomeric SMILES

C1=CC=C2C(=C1)[C-]=C(S2)C3=NC=C(C=C3)C(F)(F)F.C1=CC=C2C(=C1)[C-]=C(S2)C3=NC=C(C=C3)C(F)(F)F.C1=CC=C2C(=C1)[C-]=C(S2)C3=NC=C(C=C3)C(F)(F)F.[Ir]

InChI

InChI=1S/3C14H7F3NS.Ir/c3*15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13;/h3*1-6,8H;/q3*-1;