N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C13H13IN4OS MolecularWeight: 400.23799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2=NN(C=C2I)C)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2=NN(C=C2I)C)C

InChI

InChI=1S/C13H13IN4OS/c1-4-8-7(2)20-13(9(8)5-15)16-12(19)11-10(14)6-18(3)17-11/h6H,4H2,1-3H3,(H,16,19)