2-tert-butyl-4-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one

Systemtic Name: 2-tert-butyl-4-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one Openeye Name: 2-tert-butyl-4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethylamino]-1,1-dioxo-5-phenyl-isothiazol-3-one CAS Name: 2-tert-butyl-4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,1-dioxo-5-phenyl-3-isothiazolone IUPAC Name: 2-tert-butyl-4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]-1,1-dioxo-5-phenyl-1,2-thiazol-3-one Traditional Name: 2-tert-butyl-4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethylamino]-1,1-diketo-5-phenyl-isothiazol-3-one Formula: C21H22ClF3N4O3S MolecularWeight: 502.93759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C21H22ClF3N4O3S/c1-20(2,3)29-19(30)16(17(33(29,31)32)13-7-5-4-6-8-13)26-9-10-27-18-15(22)11-14(12-28-18)21(23,24)25/h4-8,11-12,26H,9-10H2,1-3H3,(H,27,28)