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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)N)C2=C(C=CC(=C2)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=C(C(=NN1)N)C2=C(C=CC(=C2)S(=O)(=O)O)Cl

InChI

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