6-methyl-2-[2-oxidanylidene-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-methyl-2-[[2-oxo-2-[2-(trifluoromethyl)-10-phenothiazinyl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]thio]-6-methyl-nicotinonitrile Formula: C22H14F3N3OS2 MolecularWeight: 457.49127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H14F3N3OS2/c1-13-6-7-14(11-26)21(27-13)30-12-20(29)28-16-4-2-3-5-18(16)31-19-9-8-15(10-17(19)28)22(23,24)25/h2-10H,12H2,1H3