5-[(6-azanylidene-3-thiophen-3-yl-pyridazin-1-yl)methyl]-1,2-oxazol-3-one

Systemtic Name: 5-[(6-azanylidene-3-thiophen-3-yl-pyridazin-1-yl)methyl]-1,2-oxazol-3-one Openeye Name: 5-[[6-imino-3-(3-thienyl)pyridazin-1-yl]methyl]isoxazol-3-one CAS Name: 5-[[6-imino-3-(3-thiophenyl)-1-pyridazinyl]methyl]-3-isoxazolone IUPAC Name: 5-[(6-imino-3-thiophen-3-ylpyridazin-1-yl)methyl]-1,2-oxazol-3-one Traditional Name: 5-[[6-imino-3-(3-thienyl)pyridazin-1-yl]methyl]-4-isoxazolin-3-one Formula: C12H10N4O2S MolecularWeight: 274.2984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=N)N(N=C1C2=CSC=C2)CC3=CC(=O)NO3

Isomeric SMILES

C1=CC(=N)N(N=C1C2=CSC=C2)CC3=CC(=O)NO3

InChI

InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)