2-(benzimidazol-1-yl)-1-[2-chloranyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]ethanone

Systemtic Name: 2-(benzimidazol-1-yl)-1-[2-chloranyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]ethanone Openeye Name: 2-(benzimidazol-1-yl)-1-(2-chloro-5,5-dioxo-phenothiazin-10-yl)ethanone CAS Name: 2-(1-benzimidazolyl)-1-(2-chloro-5,5-dioxo-10-phenothiazinyl)ethanone IUPAC Name: 2-(benzimidazol-1-yl)-1-(2-chloro-5,5-dioxophenothiazin-10-yl)ethanone Traditional Name: 2-(benzimidazol-1-yl)-1-(2-chloro-5,5-diketo-phenothiazin-10-yl)ethanone Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CC(=O)N3C4=CC=CC=C4S(=O)(=O)C5=C3C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CC(=O)N3C4=CC=CC=C4S(=O)(=O)C5=C3C=C(C=C5)Cl

InChI

InChI=1S/C21H14ClN3O3S/c22-14-9-10-20-18(11-14)25(17-7-3-4-8-19(17)29(20,27)28)21(26)12-24-13-23-15-5-1-2-6-16(15)24/h1-11,13H,12H2