4-methylbenzenesulfonic acid; 1-oxidanyl-1-[(E)-pyridin-3-ylmethylideneamino]guanidine

Systemtic Name: 4-methylbenzenesulfonic acid; 1-oxidanyl-1-[(E)-pyridin-3-ylmethylideneamino]guanidine Openeye Name: 1-hydroxy-1-[(E)-3-pyridylmethyleneamino]guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-hydroxy-1-[(E)-3-pyridinylmethylideneamino]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-hydroxy-1-[(E)-pyridin-3-ylmethylideneamino]guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxy-1-[(E)-3-pyridylmethyleneamino]guanidine; tosylic acid Formula: C14H17N5O4S MolecularWeight: 351.38088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CN=C1)C=NN(C(=N)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CN=C1)/C=N/N(C(=N)N)O

InChI

InChI=1S/C7H9N5O.C7H8O3S/c8-7(9)12(13)11-5-6-2-1-3-10-4-6;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,13H,(H3,8,9);2-5H,1H3,(H,8,9,10)/b11-5+;