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

Systemtic Name: 4-(5-azanyl-3-methyl-pyrazol-1-yl)-3-chloranyl-5-ethyl-benzenesulfonic acid Openeye Name: 4-(5-amino-3-methyl-pyrazol-1-yl)-3-chloro-5-ethyl-benzenesulfonic acid CAS Name: 4-(5-amino-3-methyl-1-pyrazolyl)-3-chloro-5-ethylbenzenesulfonic acid IUPAC Name: 4-(5-amino-3-methylpyrazol-1-yl)-3-chloro-5-ethylbenzenesulfonic acid Traditional Name: 4-(5-amino-3-methyl-pyrazol-1-yl)-3-chloro-5-ethyl-besylic acid Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N2C(=CC(=N2)C)N)Cl)S(=O)(=O)O

Isomeric SMILES

CCC1=CC(=CC(=C1N2C(=CC(=N2)C)N)Cl)S(=O)(=O)O

InChI

InChI=1S/C12H14ClN3O3S/c1-3-8-5-9(20(17,18)19)6-10(13)12(8)16-11(14)4-7(2)15-16/h4-6H,3,14H2,1-2H3,(H,17,18,19)