6,7-dimethoxy-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 6,7-dimethoxy-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-quinoline-3-carbonitrile Openeye Name: 6,7-dimethoxy-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-quinoline-3-carbonitrile CAS Name: 6,7-dimethoxy-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinoline-3-carbonitrile Traditional Name: 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C26H19N3O3S2 MolecularWeight: 485.57736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C#N)OC

InChI

InChI=1S/C26H19N3O3S2/c1-31-21-12-16-11-17(14-27)26(28-18(16)13-22(21)32-2)33-15-25(30)29-19-7-3-5-9-23(19)34-24-10-6-4-8-20(24)29/h3-13H,15H2,1-2H3