4-[5-chloranyl-6-(trifluoromethyl)pyrimidin-4-yl]-2-(3-ethylsulfonylprop-2-ynylamino)-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[5-chloranyl-6-(trifluoromethyl)pyrimidin-4-yl]-2-(3-ethylsulfonylprop-2-ynylamino)-5-fluoranyl-benzenecarbonitrile Openeye Name: 4-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(3-ethylsulfonylprop-2-ynylamino)-5-fluoro-benzonitrile CAS Name: 4-[5-chloro-6-(trifluoromethyl)-4-pyrimidinyl]-2-(3-ethylsulfonylprop-2-ynylamino)-5-fluorobenzonitrile IUPAC Name: 4-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(3-ethylsulfonylprop-2-ynylamino)-5-fluorobenzonitrile Traditional Name: 4-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(3-esylprop-2-ynylamino)-5-fluoro-benzonitrile Formula: C17H11ClF4N4O2S MolecularWeight: 446.806453

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C#CCNC1=CC(=C(C=C1C#N)F)C2=C(C(=NC=N2)C(F)(F)F)Cl

Isomeric SMILES

CCS(=O)(=O)C#CCNC1=CC(=C(C=C1C#N)F)C2=C(C(=NC=N2)C(F)(F)F)Cl

InChI

InChI=1S/C17H11ClF4N4O2S/c1-2-29(27,28)5-3-4-24-13-7-11(12(19)6-10(13)8-23)15-14(18)16(17(20,21)22)26-9-25-15/h6-7,9,24H,2,4H2,1H3