1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(2-mercaptoethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(2-mercaptoethyl)pyrazole-3-carboxamide Formula: C15H18ClN3O2S MolecularWeight: 339.84032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NCCS

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NCCS

InChI

InChI=1S/C15H18ClN3O2S/c1-10-7-12(8-11(2)14(10)16)21-9-19-5-3-13(18-19)15(20)17-4-6-22/h3,5,7-8,22H,4,6,9H2,1-2H3,(H,17,20)