N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-1-methyl-pyrazole-4-carboxamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-1-methylpyrazole-4-carboxamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-1-methyl-pyrazole-4-carboxamide Formula: C12H14BrN3OS2 MolecularWeight: 360.29306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NCCSCC2=CC=C(S2)Br

Isomeric SMILES

CN1C=C(C=N1)C(=O)NCCSCC2=CC=C(S2)Br

InChI

InChI=1S/C12H14BrN3OS2/c1-16-7-9(6-15-16)12(17)14-4-5-18-8-10-2-3-11(13)19-10/h2-3,6-7H,4-5,8H2,1H3,(H,14,17)