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

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-4-(bromomethyl)-1-propan-2-yl-pyrazole-3-carboxylic acid Openeye Name: 4-(bromomethyl)-5-(3,5-dichlorophenyl)sulfanyl-1-isopropyl-pyrazole-3-carboxylic acid CAS Name: 4-(bromomethyl)-5-[(3,5-dichlorophenyl)thio]-1-propan-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 4-(bromomethyl)-5-(3,5-dichlorophenyl)sulfanyl-1-propan-2-ylpyrazole-3-carboxylic acid Traditional Name: 4-(bromomethyl)-5-[(3,5-dichlorophenyl)thio]-1-isopropyl-pyrazole-3-carboxylic acid Formula: C14H13BrCl2N2O2S MolecularWeight: 424.14022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=N1)C(=O)O)CBr)SC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CC(C)N1C(=C(C(=N1)C(=O)O)CBr)SC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C14H13BrCl2N2O2S/c1-7(2)19-13(11(6-15)12(18-19)14(20)21)22-10-4-8(16)3-9(17)5-10/h3-5,7H,6H2,1-2H3,(H,20,21)