3-[ethyl-[3-oxidanylidene-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]amino]propanenitrile

Systemtic Name: 3-[ethyl-[3-oxidanylidene-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]amino]propanenitrile Openeye Name: 3-[ethyl-[3-oxo-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]amino]propanenitrile CAS Name: 3-[ethyl-[3-oxo-3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]amino]propanenitrile IUPAC Name: 3-[ethyl-[3-oxo-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]amino]propanenitrile Traditional Name: 3-[ethyl-[3-keto-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]amino]propionitrile Formula: C21H20F3N3OS MolecularWeight: 419.46321

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F

Isomeric SMILES

CCN(CCC#N)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3OS/c1-2-26(12-5-11-25)13-10-20(28)27-16-6-3-4-7-18(16)29-19-9-8-15(14-17(19)27)21(22,23)24/h3-4,6-9,14H,2,5,10,12-13H2,1H3