2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]thio]-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Formula: C27H16ClF3N3OS2+ MolecularWeight: 555.01365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+]C(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C27H15ClF3N3OS2/c28-17-10-11-24-22(12-17)34(21-8-4-5-9-23(21)37-24)25(35)15-36-26-18(14-32)19(27(29,30)31)13-20(33-26)16-6-2-1-3-7-16/h1-13H,15H2/p+1