3-[4-cyano-2,5-bis(fluoranyl)phenyl]sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide

Systemtic Name: 3-[4-cyano-2,5-bis(fluoranyl)phenyl]sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide Openeye Name: 3-(4-cyano-2,5-difluoro-phenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide CAS Name: 3-(4-cyano-2,5-difluorophenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide IUPAC Name: 3-(4-cyano-2,5-difluorophenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide Traditional Name: 3-(4-cyano-2,5-difluoro-phenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide Formula: C14H13F2N5O3S MolecularWeight: 369.346526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)C2=C(C=C(C(=C2)F)C#N)F

Isomeric SMILES

CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)C2=C(C=C(C(=C2)F)C#N)F

InChI

InChI=1S/C14H13F2N5O3S/c1-3-20(4-2)14(22)21-8-18-13(19-21)25(23,24)12-6-10(15)9(7-17)5-11(12)16/h5-6,8H,3-4H2,1-2H3