4-[3-[bis(fluoranyl)methyl]-4-ethyl-5-oxidanylidene-1,2,4-triazol-1-yl]-3-fluoranyl-6-methyl-2-(sulfonylamino)benzenecarbonitrile

Systemtic Name: 4-[3-[bis(fluoranyl)methyl]-4-ethyl-5-oxidanylidene-1,2,4-triazol-1-yl]-3-fluoranyl-6-methyl-2-(sulfonylamino)benzenecarbonitrile Openeye Name: 4-[3-(difluoromethyl)-4-ethyl-5-oxo-1,2,4-triazol-1-yl]-3-fluoro-6-methyl-2-(sulfonylamino)benzonitrile CAS Name: 4-[3-(difluoromethyl)-4-ethyl-5-oxo-1,2,4-triazol-1-yl]-3-fluoro-6-methyl-2-(sulfonylamino)benzonitrile IUPAC Name: 4-[3-(difluoromethyl)-4-ethyl-5-oxo-1,2,4-triazol-1-yl]-3-fluoro-6-methyl-2-(sulfonylamino)benzonitrile Traditional Name: 4-[3-(difluoromethyl)-4-ethyl-5-keto-1,2,4-triazol-1-yl]-3-fluoro-6-methyl-2-(sulfonylamino)benzonitrile Formula: C13H10F3N5O3S MolecularWeight: 373.31041

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=O)C2=C(C(=C(C(=C2)C)C#N)N=S(=O)=O)F)C(F)F

Isomeric SMILES

CCN1C(=NN(C1=O)C2=C(C(=C(C(=C2)C)C#N)N=S(=O)=O)F)C(F)F

InChI

InChI=1S/C13H10F3N5O3S/c1-3-20-12(11(15)16)18-21(13(20)22)8-4-6(2)7(5-17)10(9(8)14)19-25(23)24/h4,11H,3H2,1-2H3