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

Systemtic Name: N-[(Z)-(4-methyl-2-phenyl-pyrrolo[1,2-a]benzimidazol-4-ium-1-ylidene)-methylsulfanyl-methyl]aniline Openeye Name: N-[(Z)-(4-methyl-2-phenyl-pyrrolo[1,2-a]benzimidazol-4-ium-1-ylidene)-methylsulfanyl-methyl]aniline CAS Name: N-[(Z)-(4-methyl-2-phenyl-1-pyrrolo[1,2-a]benzimidazol-4-iumylidene)-(methylthio)methyl]aniline IUPAC Name: N-[(Z)-(4-methyl-2-phenylpyrrolo[1,2-a]benzimidazol-4-ium-1-ylidene)-methylsulfanylmethyl]aniline Traditional Name: [(Z)-(4-methyl-2-phenyl-pyrrolo[1,2-a]benzimidazol-4-ium-1-ylidene)-(methylthio)methyl]-phenyl-amine Formula: C25H22N3S+ MolecularWeight: 396.52728

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3S/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/p+1