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

Systemtic Name: 1-[5,5-bis(oxidanylidene)-2-(trifluoromethyl)phenothiazin-10-yl]-4-imidazol-1-yl-butan-1-one Openeye Name: 1-[5,5-dioxo-2-(trifluoromethyl)phenothiazin-10-yl]-4-imidazol-1-yl-butan-1-one CAS Name: 1-[5,5-dioxo-2-(trifluoromethyl)-10-phenothiazinyl]-4-(1-imidazolyl)-1-butanone IUPAC Name: 1-[5,5-dioxo-2-(trifluoromethyl)phenothiazin-10-yl]-4-imidazol-1-ylbutan-1-one Traditional Name: 1-[5,5-diketo-2-(trifluoromethyl)phenothiazin-10-yl]-4-imidazol-1-yl-butan-1-one Formula: C20H16F3N3O3S MolecularWeight: 435.41955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F3N3O3S/c21-20(22,23)14-7-8-18-16(12-14)26(15-4-1-2-5-17(15)30(18,28)29)19(27)6-3-10-25-11-9-24-13-25/h1-2,4-5,7-9,11-13H,3,6,10H2