2-(3-nitro-1,2,4-triazol-1-yl)-1-thiophen-2-yl-ethanone

Systemtic Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-thiophen-2-yl-ethanone Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-(2-thienyl)ethanone CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone IUPAC Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-thiophen-2-ylethanone Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-(2-thienyl)ethanone Formula: C8H6N4O3S MolecularWeight: 238.22324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(=O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C8H6N4O3S/c13-6(7-2-1-3-16-7)4-11-5-9-8(10-11)12(14)15/h1-3,5H,4H2