4,6-dimethyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C22H18N3OS2+ MolecularWeight: 404.52782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C

InChI

InChI=1S/C22H17N3OS2/c1-14-11-15(2)24-22(16(14)12-23)27-13-21(26)25-17-7-3-5-9-19(17)28-20-10-6-4-8-18(20)25/h3-11H,13H2,1-2H3/p+1