2-azanyl-6-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]thio]-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]sulfanyl-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]thio]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C27H17ClN5OS2+ MolecularWeight: 527.03978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)N)C#N

InChI

InChI=1S/C27H16ClN5OS2/c28-17-10-11-23-21(12-17)33(20-8-4-5-9-22(20)36-23)24(34)15-35-27-19(14-30)25(16-6-2-1-3-7-16)18(13-29)26(31)32-27/h1-12H,15H2,(H2,31,32)/p+1