N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-2-(cyanomethylsulfanyl)ethanamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-2-(cyanomethylsulfanyl)ethanamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2-(cyanomethylsulfanyl)acetamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-2-(cyanomethylthio)acetamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(cyanomethylsulfanyl)acetamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2-(cyanomethylthio)acetamide Formula: C12H11BrN4OS2 MolecularWeight: 371.27594

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N(N=C1)CC2=CC(=CS2)Br)NC(=O)CSCC#N

Isomeric SMILES

C1=C(N(N=C1)CC2=CC(=CS2)Br)NC(=O)CSCC#N

InChI

InChI=1S/C12H11BrN4OS2/c13-9-5-10(20-7-9)6-17-11(1-3-15-17)16-12(18)8-19-4-2-14/h1,3,5,7H,4,6,8H2,(H,16,18)