1-[(E)-(3-cyanophenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[(E)-(3-cyanophenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 1-[(E)-(3-cyanophenyl)methyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-[(E)-(3-cyanophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-[(E)-(3-cyanophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid Traditional Name: 1-[(E)-(3-cyanobenzylidene)amino]-1-hydroxy-guanidine; tosylic acid Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N5O.C7H8O3S/c10-5-7-2-1-3-8(4-7)6-13-14(15)9(11)12;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,6,15H,(H3,11,12);2-5H,1H3,(H,8,9,10)/b13-6+;