5-[(3-nitrophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one

Systemtic Name: 5-[(3-nitrophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one Openeye Name: 5-[(3-nitrophenyl)methyl]-3-(2-thienyl)-1H-pyridazin-6-one CAS Name: 5-[(3-nitrophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one IUPAC Name: 5-[(3-nitrophenyl)methyl]-3-thiophen-2-yl-1H-pyridazin-6-one Traditional Name: 5-(3-nitrobenzyl)-3-(2-thienyl)-1H-pyridazin-6-one Formula: C15H11N3O3S MolecularWeight: 313.33114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CC2=CC(=NNC2=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CC2=CC(=NNC2=O)C3=CC=CS3

InChI

InChI=1S/C15H11N3O3S/c19-15-11(7-10-3-1-4-12(8-10)18(20)21)9-13(16-17-15)14-5-2-6-22-14/h1-6,8-9H,7H2,(H,17,19)