1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2-mercaptoethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-(2-mercaptoethyl)pyrazole-3-carboxamide Formula: C13H13BrClN3O2S MolecularWeight: 390.68322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Br)OCN2C=CC(=N2)C(=O)NCCS

Isomeric SMILES

C1=CC(=C(C=C1Cl)Br)OCN2C=CC(=N2)C(=O)NCCS

InChI

InChI=1S/C13H13BrClN3O2S/c14-10-7-9(15)1-2-12(10)20-8-18-5-3-11(17-18)13(19)16-4-6-21/h1-3,5,7,21H,4,6,8H2,(H,16,19)