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

Systemtic Name: 1-[(2-chloranylphenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chlorophenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 1-[(2-chlorophenoxy)methyl]-N-(2-mercaptoethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chlorophenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chlorophenoxy)methyl]-N-(2-mercaptoethyl)pyrazole-3-carboxamide Formula: C13H14ClN3O2S MolecularWeight: 311.78716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCN2C=CC(=N2)C(=O)NCCS)Cl

Isomeric SMILES

C1=CC=C(C(=C1)OCN2C=CC(=N2)C(=O)NCCS)Cl

InChI

InChI=1S/C13H14ClN3O2S/c14-10-3-1-2-4-12(10)19-9-17-7-5-11(16-17)13(18)15-6-8-20/h1-5,7,20H,6,8-9H2,(H,15,18)