N-[(E)-(4-methyl-2-phenyl-pyrrolo[1,2-a]benzimidazol-4-ium-1-ylidene)-methylsulfanyl-methyl]aniline iodide

Systemtic Name: N-[(E)-(4-methyl-2-phenyl-pyrrolo[1,2-a]benzimidazol-4-ium-1-ylidene)-methylsulfanyl-methyl]aniline iodide Openeye Name: N-[(E)-(4-methyl-2-phenyl-pyrrolo[1,2-a]benzimidazol-4-ium-1-ylidene)-methylsulfanyl-methyl]aniline iodide CAS Name: N-[(E)-(4-methyl-2-phenyl-1-pyrrolo[1,2-a]benzimidazol-4-iumylidene)-(methylthio)methyl]aniline iodide IUPAC Name: N-[(E)-(4-methyl-2-phenylpyrrolo[1,2-a]benzimidazol-4-ium-1-ylidene)-methylsulfanylmethyl]aniline iodide Traditional Name: [(E)-(4-methyl-2-phenyl-pyrrolo[1,2-a]benzimidazol-4-ium-1-ylidene)-(methylthio)methyl]-phenyl-amine iodide Formula: C25H22IN3S MolecularWeight: 523.43175

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C(=C(NC3=CC=CC=C3)SC)N2C4=CC=CC=C41)C5=CC=CC=C5.[I-]

Isomeric SMILES

C[N+]1=C2C=C(/C(=C(/NC3=CC=CC=C3)\SC)/N2C4=CC=CC=C41)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C25H21N3S.HI/c1-27-21-15-9-10-16-22(21)28-23(27)17-20(18-11-5-3-6-12-18)24(28)25(29-2)26-19-13-7-4-8-14-19;/h3-17H,1-2H3;1H