5-[3,5-bis(chloranyl)phenyl]sulfanyl-1-propan-2-yl-4-(pyridin-2-ylmethoxymethyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-1-propan-2-yl-4-(pyridin-2-ylmethoxymethyl)pyrazole-3-carboxylic acid Openeye Name: 5-(3,5-dichlorophenyl)sulfanyl-1-isopropyl-4-(2-pyridylmethoxymethyl)pyrazole-3-carboxylic acid CAS Name: 5-[(3,5-dichlorophenyl)thio]-1-propan-2-yl-4-(2-pyridinylmethoxymethyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(3,5-dichlorophenyl)sulfanyl-1-propan-2-yl-4-(pyridin-2-ylmethoxymethyl)pyrazole-3-carboxylic acid Traditional Name: 5-[(3,5-dichlorophenyl)thio]-1-isopropyl-4-(2-pyridylmethoxymethyl)pyrazole-3-carboxylic acid Formula: C20H19Cl2N3O3S MolecularWeight: 452.35416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=N1)C(=O)O)COCC2=CC=CC=N2)SC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)N1C(=C(C(=N1)C(=O)O)COCC2=CC=CC=N2)SC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O3S/c1-12(2)25-19(29-16-8-13(21)7-14(22)9-16)17(18(24-25)20(26)27)11-28-10-15-5-3-4-6-23-15/h3-9,12H,10-11H2,1-2H3,(H,26,27)