2-[3-chloranyl-2,5-dimethyl-4-(methylideneamino)-3H-pyrazol-1-yl]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[3-chloranyl-2,5-dimethyl-4-(methylideneamino)-3H-pyrazol-1-yl]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 2-[3-chloro-2,5-dimethyl-4-(methyleneamino)-3H-pyrazol-1-yl]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid CAS Name: 2-[3-chloro-2,5-dimethyl-4-(methyleneamino)-3H-pyrazol-1-yl]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[3-chloro-2,5-dimethyl-4-(methylideneamino)-3H-pyrazol-1-yl]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-[3-chloro-2,5-dimethyl-4-(methyleneamino)-3-pyrazolin-1-yl]-1-hydroxy-guanidine; tosylic acid Formula: C14H21ClN6O4S MolecularWeight: 404.87234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C(N(N1N=C(N)NO)C)Cl)N=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C(N(N1/N=C(/N)\NO)C)Cl)N=C

InChI

InChI=1S/C7H13ClN6O.C7H8O3S/c1-4-5(10-2)6(8)13(3)14(4)11-7(9)12-15;1-6-2-4-7(5-3-6)11(8,9)10/h6,15H,2H2,1,3H3,(H3,9,11,12);2-5H,1H3,(H,8,9,10)