3-oxidanylidene-2-prop-2-ynyl-5-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]phenoxy]hexanenitrile

Systemtic Name: 3-oxidanylidene-2-prop-2-ynyl-5-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]phenoxy]hexanenitrile Openeye Name: 3-oxo-2-prop-2-ynyl-5-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]phenoxy]hexanenitrile CAS Name: 3-oxo-2-prop-2-ynyl-5-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]phenoxy]hexanenitrile IUPAC Name: 3-oxo-2-prop-2-ynyl-5-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]phenoxy]hexanenitrile Traditional Name: 2-[3-[4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]phenoxy]butanoyl]pent-4-ynenitrile Formula: C23H17F3N2O2S2 MolecularWeight: 474.51849

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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