3-[(3-nitrophenyl)methylsulfanyl]-6-(3,4,5-trimethoxyphenyl)pyridazine

Systemtic Name: 3-[(3-nitrophenyl)methylsulfanyl]-6-(3,4,5-trimethoxyphenyl)pyridazine Openeye Name: 3-[(3-nitrophenyl)methylsulfanyl]-6-(3,4,5-trimethoxyphenyl)pyridazine CAS Name: 3-[(3-nitrophenyl)methylthio]-6-(3,4,5-trimethoxyphenyl)pyridazine IUPAC Name: 3-[(3-nitrophenyl)methylsulfanyl]-6-(3,4,5-trimethoxyphenyl)pyridazine Traditional Name: 3-[(3-nitrobenzyl)thio]-6-(3,4,5-trimethoxyphenyl)pyridazine Formula: C20H19N3O5S MolecularWeight: 413.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-26-17-10-14(11-18(27-2)20(17)28-3)16-7-8-19(22-21-16)29-12-13-5-4-6-15(9-13)23(24)25/h4-11H,12H2,1-3H3