1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(2-mercaptoethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-mercaptoethyl)pyrazole-3-carboxamide Formula: C12H16BrN5OS MolecularWeight: 358.25734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NCCS)C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NCCS)C)Br

InChI

InChI=1S/C12H16BrN5OS/c1-8-11(13)9(2)18(15-8)7-17-5-3-10(16-17)12(19)14-4-6-20/h3,5,20H,4,6-7H2,1-2H3,(H,14,19)