2-[(E)-(3-bromanyl-4-fluoranyl-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[(E)-(3-bromanyl-4-fluoranyl-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 2-[(E)-(3-bromo-4-fluoro-phenyl)methyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid CAS Name: 2-[(E)-(3-bromo-4-fluorophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[(E)-(3-bromo-4-fluorophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-[(E)-(3-bromo-4-fluoro-benzylidene)amino]-1-hydroxy-guanidine; tosylic acid Formula: C15H16BrFN4O4S MolecularWeight: 447.279343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1C=NN=C(N)NO)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1/C=N/N=C(/N)\NO)Br)F

InChI

InChI=1S/C8H8BrFN4O.C7H8O3S/c9-6-3-5(1-2-7(6)10)4-12-13-8(11)14-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,15H,(H3,11,13,14);2-5H,1H3,(H,8,9,10)/b12-4+;