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

Systemtic Name: 1-[(4-chloranyl-3-methyl-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-mercaptoethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3-methylphenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-(2-mercaptoethyl)pyrazole-3-carboxamide Formula: C14H16ClN3O2S MolecularWeight: 325.81374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)NCCS)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)NCCS)Cl

InChI

InChI=1S/C14H16ClN3O2S/c1-10-8-11(2-3-12(10)15)20-9-18-6-4-13(17-18)14(19)16-5-7-21/h2-4,6,8,21H,5,7,9H2,1H3,(H,16,19)