3-(5-azanyl-3-ethyl-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 3-(5-azanyl-3-ethyl-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 3-(5-amino-3-ethyl-pyrazol-1-yl)benzenesulfonic acid CAS Name: 3-(5-amino-3-ethyl-1-pyrazolyl)benzenesulfonic acid IUPAC Name: 3-(5-amino-3-ethylpyrazol-1-yl)benzenesulfonic acid Traditional Name: 3-(5-amino-3-ethyl-pyrazol-1-yl)besylic acid Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)N)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCC1=NN(C(=C1)N)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C11H13N3O3S/c1-2-8-6-11(12)14(13-8)9-4-3-5-10(7-9)18(15,16)17/h3-7H,2,12H2,1H3,(H,15,16,17)