1-[(4-bromanylphenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-(2-mercaptoethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-(2-mercaptoethyl)pyrazole-3-carboxamide Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCN2C=CC(=N2)C(=O)NCCS)Br

Isomeric SMILES

C1=CC(=CC=C1OCN2C=CC(=N2)C(=O)NCCS)Br

InChI

InChI=1S/C13H14BrN3O2S/c14-10-1-3-11(4-2-10)19-9-17-7-5-12(16-17)13(18)15-6-8-20/h1-5,7,20H,6,8-9H2,(H,15,18)