2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-sulfanylethyl)butanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-sulfanylethyl)butanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2-sulfanylethyl)butanamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(2-mercaptoethyl)butanamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)butanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2-mercaptoethyl)butyramide Formula: C11H18ClN3OS MolecularWeight: 275.79812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCS)N1C(=C(C(=N1)C)Cl)C

Isomeric SMILES

CCC(C(=O)NCCS)N1C(=C(C(=N1)C)Cl)C

InChI

InChI=1S/C11H18ClN3OS/c1-4-9(11(16)13-5-6-17)15-8(3)10(12)7(2)14-15/h9,17H,4-6H2,1-3H3,(H,13,16)