2-[[3-[1,2-dimethyl-5-oxidanylidene-8-(trifluoromethyl)phenothiazin-10-yl]propyl-methyl-amino]methyl]phenol

Systemtic Name: 2-[[3-[1,2-dimethyl-5-oxidanylidene-8-(trifluoromethyl)phenothiazin-10-yl]propyl-methyl-amino]methyl]phenol Openeye Name: 2-[[3-[1,2-dimethyl-5-oxo-8-(trifluoromethyl)phenothiazin-10-yl]propyl-methyl-amino]methyl]phenol CAS Name: 2-[[3-[1,2-dimethyl-5-oxo-8-(trifluoromethyl)-10-phenothiazinyl]propyl-methylamino]methyl]phenol IUPAC Name: 2-[[3-[1,2-dimethyl-5-oxo-8-(trifluoromethyl)phenothiazin-10-yl]propyl-methylamino]methyl]phenol Traditional Name: 2-[[3-[5-keto-1,2-dimethyl-8-(trifluoromethyl)phenothiazin-10-yl]propyl-methyl-amino]methyl]phenol Formula: C26H27F3N2O2S MolecularWeight: 488.56499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCN(C)CC4=CC=CC=C4O)C=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCN(C)CC4=CC=CC=C4O)C=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C26H27F3N2O2S/c1-17-9-11-24-25(18(17)2)31(14-6-13-30(3)16-19-7-4-5-8-22(19)32)21-15-20(26(27,28)29)10-12-23(21)34(24)33/h4-5,7-12,15,32H,6,13-14,16H2,1-3H3