2-[(E)-(4-cyanophenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonate

Systemtic Name: 2-[(E)-(4-cyanophenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonate Openeye Name: 2-[(E)-(4-cyanophenyl)methyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonate CAS Name: 2-[(E)-(4-cyanophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonate IUPAC Name: 2-[(E)-(4-cyanophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonate Traditional Name: 2-[(E)-(4-cyanobenzylidene)amino]-1-hydroxy-guanidine tosylate Formula: C16H16N5O4S- MolecularWeight: 374.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1C=NN=C(N)NO)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1/C=N/N=C(\N)/NO)C#N

InChI

InChI=1S/C9H9N5O.C7H8O3S/c10-5-7-1-3-8(4-2-7)6-12-13-9(11)14-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,6,15H,(H3,11,13,14);2-5H,1H3,(H,8,9,10)/p-1/b12-6+;