(E)-2-(1H-benzimidazol-2-yl)-2-triphenylphosphaniumyl-ethenethiolate

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-2-triphenylphosphaniumyl-ethenethiolate Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-2-triphenylphosphaniumyl-ethenethiolate CAS Name: (E)-2-(1H-benzimidazol-2-yl)-2-triphenylphosphiniumylethenethiolate IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-2-triphenylphosphaniumylethenethiolate Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-2-triphenylphosphiniumyl-ethenethiolate Formula: C27H21N2PS MolecularWeight: 436.507801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C(=C[S-])C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)/C(=C/[S-])/C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H21N2PS/c31-20-26(27-28-24-18-10-11-19-25(24)29-27)30(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H,(H-,28,29,31)