3-azanyl-N-[2,6-bis(fluoranyl)phenyl]-1H-1,2,4-triazole-5-sulfonamide hydrate

Systemtic Name: 3-azanyl-N-[2,6-bis(fluoranyl)phenyl]-1H-1,2,4-triazole-5-sulfonamide hydrate Openeye Name: 3-amino-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-5-sulfonamide hydrate CAS Name: 3-amino-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-5-sulfonamide hydrate IUPAC Name: 3-amino-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-5-sulfonamide hydrate Traditional Name: 3-amino-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-5-sulfonamide hydrate Formula: C8H9F2N5O3S MolecularWeight: 293.250566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)NS(=O)(=O)C2=NC(=NN2)N)F.O

Isomeric SMILES

C1=CC(=C(C(=C1)F)NS(=O)(=O)C2=NC(=NN2)N)F.O

InChI

InChI=1S/C8H7F2N5O2S.H2O/c9-4-2-1-3-5(10)6(4)15-18(16,17)8-12-7(11)13-14-8;/h1-3,15H,(H3,11,12,13,14);1H2