2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]thio]-6-phenyl-nicotinonitrile Formula: C26H16ClN3OS2 MolecularWeight: 486.00774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C26H16ClN3OS2/c27-19-11-13-24-22(14-19)30(21-8-4-5-9-23(21)33-24)25(31)16-32-26-18(15-28)10-12-20(29-26)17-6-2-1-3-7-17/h1-14H,16H2