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4-imidazol-1-yl-1-[5-oxidanylidene-2-(trifluoromethyl)phenothiazin-10-yl]butan-1-one

4-imidazol-1-yl-1-[5-oxidanylidene-2-(trifluoromethyl)phenothiazin-10-yl]butan-1-one

Systemtic Name:4-imidazol-1-yl-1-[5-oxidanylidene-2-(trifluoromethyl)phenothiazin-10-yl]butan-1-one
Openeye Name:4-imidazol-1-yl-1-[5-oxo-2-(trifluoromethyl)phenothiazin-10-yl]butan-1-one
CAS Name:4-(1-imidazolyl)-1-[5-oxo-2-(trifluoromethyl)-10-phenothiazinyl]-1-butanone
IUPAC Name:4-imidazol-1-yl-1-[5-oxo-2-(trifluoromethyl)phenothiazin-10-yl]butan-1-one
Traditional Name:4-imidazol-1-yl-1-[5-keto-2-(trifluoromethyl)phenothiazin-10-yl]butan-1-one
Formula: C20H16F3N3O2S
MolecularWeight: 419.42015
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2=O)C=CC(=C3)C(F)(F)F)C(=O)CCCN4C=CN=C4


Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2=O)C=CC(=C3)C(F)(F)F)C(=O)CCCN4C=CN=C4


InChI

InChI=1S/C20H16F3N3O2S/c21-20(22,23)14-7-8-18-16(12-14)26(15-4-1-2-5-17(15)29(18)28)19(27)6-3-10-25-11-9-24-13-25/h1-2,4-5,7-9,11-13H,3,6,10H2


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