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

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)pyrazole-3-carboxylic acid Openeye Name: 5-(3,5-dichlorophenyl)sulfanyl-1-isopropyl-4-(4-pyridylmethyl)pyrazole-3-carboxylic acid CAS Name: 5-[(3,5-dichlorophenyl)thio]-1-propan-2-yl-4-(pyridin-4-ylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(3,5-dichlorophenyl)sulfanyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)pyrazole-3-carboxylic acid Traditional Name: 5-[(3,5-dichlorophenyl)thio]-1-isopropyl-4-(4-pyridylmethyl)pyrazole-3-carboxylic acid Formula: C19H17Cl2N3O2S MolecularWeight: 422.32818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=N1)C(=O)O)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)N1C(=C(C(=N1)C(=O)O)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C19H17Cl2N3O2S/c1-11(2)24-18(27-15-9-13(20)8-14(21)10-15)16(17(23-24)19(25)26)7-12-3-5-22-6-4-12/h3-6,8-11H,7H2,1-2H3,(H,25,26)