4-methylbenzenesulfonic acid; 5-(2-methylphenyl)-1H-pyrazol-4-amine

Systemtic Name: 4-methylbenzenesulfonic acid; 5-(2-methylphenyl)-1H-pyrazol-4-amine Openeye Name: 4-methylbenzenesulfonic acid; 5-(o-tolyl)-1H-pyrazol-4-amine CAS Name: 4-methylbenzenesulfonic acid; 5-(2-methylphenyl)-1H-pyrazol-4-amine IUPAC Name: 4-methylbenzenesulfonic acid; 5-(2-methylphenyl)-1H-pyrazol-4-amine Traditional Name: [5-(o-tolyl)-1H-pyrazol-4-yl]amine; tosylic acid Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=CC=C1C2=C(C=NN2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=CC=C1C2=C(C=NN2)N

InChI

InChI=1S/C10H11N3.C7H8O3S/c1-7-4-2-3-5-8(7)10-9(11)6-12-13-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,11H2,1H3,(H,12,13);2-5H,1H3,(H,8,9,10)