4-[5-chloranyl-2-(4-propan-2-ylphenyl)pyrazol-3-yl]-2-(2-hydroxyethyl)benzenesulfinate

Systemtic Name: 4-[5-chloranyl-2-(4-propan-2-ylphenyl)pyrazol-3-yl]-2-(2-hydroxyethyl)benzenesulfinate Openeye Name: 4-[5-chloro-2-(4-isopropylphenyl)pyrazol-3-yl]-2-(2-hydroxyethyl)benzenesulfinate CAS Name: 4-[5-chloro-2-(4-propan-2-ylphenyl)-3-pyrazolyl]-2-(2-hydroxyethyl)benzenesulfinate IUPAC Name: 4-[5-chloro-2-(4-propan-2-ylphenyl)pyrazol-3-yl]-2-(2-hydroxyethyl)benzenesulfinate Traditional Name: 4-(5-chloro-2-p-cumenyl-pyrazol-3-yl)-2-(2-hydroxyethyl)benzenesulfinate Formula: C20H20ClN2O3S- MolecularWeight: 403.9024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=CC(=N2)Cl)C3=CC(=C(C=C3)S(=O)[O-])CCO

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=CC(=N2)Cl)C3=CC(=C(C=C3)S(=O)[O-])CCO

InChI

InChI=1S/C20H21ClN2O3S/c1-13(2)14-3-6-17(7-4-14)23-18(12-20(21)22-23)15-5-8-19(27(25)26)16(11-15)9-10-24/h3-8,11-13,24H,9-10H2,1-2H3,(H,25,26)/p-1