2-ethynyl-4-oxidanylidene-6-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]phenoxy]heptanenitrile

Systemtic Name: 2-ethynyl-4-oxidanylidene-6-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]phenoxy]heptanenitrile Openeye Name: 2-ethynyl-4-oxo-6-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]phenoxy]heptanenitrile CAS Name: 2-ethynyl-4-oxo-6-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]phenoxy]heptanenitrile IUPAC Name: 2-ethynyl-4-oxo-6-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]phenoxy]heptanenitrile Traditional Name: 2-[2-keto-4-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]phenoxy]pentyl]but-3-ynenitrile Formula: C23H17F3N2O2S2 MolecularWeight: 474.51849

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CC(C#C)C#N)OC1=CC=C(C=C1)SC2=NC3=C(S2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(CC(=O)CC(C#C)C#N)OC1=CC=C(C=C1)SC2=NC3=C(S2)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H17F3N2O2S2/c1-3-15(13-27)11-17(29)10-14(2)30-18-5-7-19(8-6-18)31-22-28-20-9-4-16(23(24,25)26)12-21(20)32-22/h1,4-9,12,14-15H,10-11H2,2H3