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

Systemtic Name: 2-azanyl-6-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C27H18N5OS2+ MolecularWeight: 492.59472

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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=CC=CC=C53)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N)C#N

InChI

InChI=1S/C27H17N5OS2/c28-14-18-25(17-8-2-1-3-9-17)19(15-29)27(31-26(18)30)34-16-24(33)32-20-10-4-6-12-22(20)35-23-13-7-5-11-21(23)32/h1-13H,16H2,(H2,30,31)/p+1