N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-isopropylsulfonylphenyl)acetamide CAS Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(4-isopropylsulfonylphenyl)acetamide Formula: C21H18F2N2O3S2 MolecularWeight: 448.506026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CC#C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CC#C

InChI

InChI=1S/C21H18F2N2O3S2/c1-4-9-25-20-17(23)11-15(22)12-18(20)29-21(25)24-19(26)10-14-5-7-16(8-6-14)30(27,28)13(2)3/h1,5-8,11-13H,9-10H2,2-3H3