4-iodanyl-1-methyl-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 4-iodanyl-1-methyl-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 4-iodo-1-methyl-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 4-iodo-N-(2-mercaptoethyl)-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-iodo-1-methyl-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 4-iodo-N-(2-mercaptoethyl)-1-methyl-pyrazole-3-carboxamide Formula: C7H10IN3OS MolecularWeight: 311.14327

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCCS)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCCS)I

InChI

InChI=1S/C7H10IN3OS/c1-11-4-5(8)6(10-11)7(12)9-2-3-13/h4,13H,2-3H2,1H3,(H,9,12)