3-[4-[[1,1-bis(oxidanylidene)-6-[3-(trifluoromethyl)pyridin-2-yl]-1,2-benzothiazol-3-yl]amino]phenyl]-3-methyl-butanenitrile

Systemtic Name: 3-[4-[[1,1-bis(oxidanylidene)-6-[3-(trifluoromethyl)pyridin-2-yl]-1,2-benzothiazol-3-yl]amino]phenyl]-3-methyl-butanenitrile Openeye Name: 3-[4-[[1,1-dioxo-6-[3-(trifluoromethyl)-2-pyridyl]-1,2-benzothiazol-3-yl]amino]phenyl]-3-methyl-butanenitrile CAS Name: 3-[4-[[1,1-dioxo-6-[3-(trifluoromethyl)-2-pyridinyl]-1,2-benzothiazol-3-yl]amino]phenyl]-3-methylbutanenitrile IUPAC Name: 3-[4-[[1,1-dioxo-6-[3-(trifluoromethyl)pyridin-2-yl]-1,2-benzothiazol-3-yl]amino]phenyl]-3-methylbutanenitrile Traditional Name: 3-[4-[[1,1-diketo-6-[3-(trifluoromethyl)-2-pyridyl]-1,2-benzothiazol-3-yl]amino]phenyl]-3-methyl-butyronitrile Formula: C24H19F3N4O2S MolecularWeight: 484.49347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC#N)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F

Isomeric SMILES

CC(C)(CC#N)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F

InChI

InChI=1S/C24H19F3N4O2S/c1-23(2,11-12-28)16-6-8-17(9-7-16)30-22-18-10-5-15(14-20(18)34(32,33)31-22)21-19(24(25,26)27)4-3-13-29-21/h3-10,13-14H,11H2,1-2H3,(H,30,31)