N-[(E)-(1,4-dimethyl-2-phenyl-pyrrolo[1,2-a]benzimidazol-4-ium-3-ylidene)-methylsulfanyl-methyl]aniline

Systemtic Name: N-[(E)-(1,4-dimethyl-2-phenyl-pyrrolo[1,2-a]benzimidazol-4-ium-3-ylidene)-methylsulfanyl-methyl]aniline Openeye Name: N-[(E)-(1,4-dimethyl-2-phenyl-pyrrolo[1,2-a]benzimidazol-4-ium-3-ylidene)-methylsulfanyl-methyl]aniline CAS Name: N-[(E)-(1,4-dimethyl-2-phenyl-3-pyrrolo[1,2-a]benzimidazol-4-iumylidene)-(methylthio)methyl]aniline IUPAC Name: N-[(E)-(1,4-dimethyl-2-phenylpyrrolo[1,2-a]benzimidazol-4-ium-3-ylidene)-methylsulfanylmethyl]aniline Traditional Name: [(E)-(1,4-dimethyl-2-phenyl-pyrrolo[1,2-a]benzimidazol-4-ium-3-ylidene)-(methylthio)methyl]-phenyl-amine Formula: C26H24N3S+ MolecularWeight: 410.55386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(NC2=CC=CC=C2)SC)C3=[N+](C4=CC=CC=C4N13)C)C5=CC=CC=C5

Isomeric SMILES

CC1=C(/C(=C(/NC2=CC=CC=C2)\SC)/C3=[N+](C4=CC=CC=C4N13)C)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3S/c1-18-23(19-12-6-4-7-13-19)24(25(30-3)27-20-14-8-5-9-15-20)26-28(2)21-16-10-11-17-22(21)29(18)26/h4-17H,1-3H3/p+1