3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-(2-sulfanylethyl)propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-(2-sulfanylethyl)propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-(2-sulfanylethyl)propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(2-mercaptoethyl)-2-methylpropanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(2-sulfanylethyl)propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(2-mercaptoethyl)-2-methyl-propionamide Formula: C11H18BrN3OS MolecularWeight: 320.24912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NCCS)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NCCS)C)Br

InChI

InChI=1S/C11H18BrN3OS/c1-7(11(16)13-4-5-17)6-15-9(3)10(12)8(2)14-15/h7,17H,4-6H2,1-3H3,(H,13,16)