3-(3-azanyl-1-chloranyl-5-methyl-pyrazol-4-yl)benzenesulfonic acid

Systemtic Name: 3-(3-azanyl-1-chloranyl-5-methyl-pyrazol-4-yl)benzenesulfonic acid Openeye Name: 3-(3-amino-1-chloro-5-methyl-pyrazol-4-yl)benzenesulfonic acid CAS Name: 3-(3-amino-1-chloro-5-methyl-4-pyrazolyl)benzenesulfonic acid IUPAC Name: 3-(3-amino-1-chloro-5-methylpyrazol-4-yl)benzenesulfonic acid Traditional Name: 3-(3-amino-1-chloro-5-methyl-pyrazol-4-yl)besylic acid Formula: C10H10ClN3O3S MolecularWeight: 287.7227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1Cl)N)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=NN1Cl)N)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C10H10ClN3O3S/c1-6-9(10(12)13-14(6)11)7-3-2-4-8(5-7)18(15,16)17/h2-5H,1H3,(H2,12,13)(H,15,16,17)