3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Openeye Name: 3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile CAS Name: 3-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile IUPAC Name: 3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Traditional Name: 3-keto-3-(4-pyrrolidinosulfonylphenyl)-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propionitrile Formula: C21H16F3N3O3S2 MolecularWeight: 479.49525

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC4=C(S3)C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC4=C(S3)C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H16F3N3O3S2/c22-21(23,24)14-5-8-17-18(11-14)31-20(26-17)16(12-25)19(28)13-3-6-15(7-4-13)32(29,30)27-9-1-2-10-27/h3-8,11,16H,1-2,9-10H2