2-[(E)-(4-bromophenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[(E)-(4-bromophenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 2-[(E)-(4-bromophenyl)methyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid CAS Name: 2-[(E)-(4-bromophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[(E)-(4-bromophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-[(E)-(4-bromobenzylidene)amino]-1-hydroxy-guanidine; tosylic acid Formula: C15H17BrN4O4S MolecularWeight: 429.28888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9BrN4O.C7H8O3S/c9-7-3-1-6(2-4-7)5-11-12-8(10)13-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,14H,(H3,10,12,13);2-5H,1H3,(H,8,9,10)/b11-5+;