N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-1-methyl-pyrazole-4-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpyrazole-4-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-1-methyl-pyrazole-4-carboxamide Formula: C12H15N3O2S MolecularWeight: 265.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NCCSCC2=CC=CO2

Isomeric SMILES

CN1C=C(C=N1)C(=O)NCCSCC2=CC=CO2

InChI

InChI=1S/C12H15N3O2S/c1-15-8-10(7-14-15)12(16)13-4-6-18-9-11-3-2-5-17-11/h2-3,5,7-8H,4,6,9H2,1H3,(H,13,16)