1-phenothiazin-10-yl-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanone

Systemtic Name: 1-phenothiazin-10-yl-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanone Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-1-phenothiazin-10-yl-ethanone Formula: C27H20N3O3S3+ MolecularWeight: 530.661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C27H19N3O3S3/c31-26(29-22-14-6-8-16-24(22)35-25-17-9-7-15-23(25)29)18-34-27-28-20-12-4-5-13-21(20)30(27)36(32,33)19-10-2-1-3-11-19/h1-17H,18H2/p+1