1-(4-bromanyl-2,6-dimethyl-phenyl)-5-(dimethylamino)-3-methylsulfanyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-bromanyl-2,6-dimethyl-phenyl)-5-(dimethylamino)-3-methylsulfanyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromo-2,6-dimethyl-phenyl)-5-(dimethylamino)-3-methylsulfanyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-bromo-2,6-dimethylphenyl)-5-(dimethylamino)-3-(methylthio)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromo-2,6-dimethylphenyl)-5-(dimethylamino)-3-methylsulfanylpyrazole-4-carboxylic acid Traditional Name: 1-(4-bromo-2,6-dimethyl-phenyl)-5-(dimethylamino)-3-(methylthio)pyrazole-4-carboxylic acid Formula: C15H18BrN3O2S MolecularWeight: 384.29132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C(=C(C(=N2)SC)C(=O)O)N(C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1N2C(=C(C(=N2)SC)C(=O)O)N(C)C)C)Br

InChI

InChI=1S/C15H18BrN3O2S/c1-8-6-10(16)7-9(2)12(8)19-14(18(3)4)11(15(20)21)13(17-19)22-5/h6-7H,1-5H3,(H,20,21)