1-[(E)-but-2-enyl]-2,3-dimethyl-7-(pyridin-2-ylmethylsulfanyl)pyrrolo[2,3-d]pyridazine

Systemtic Name: 1-[(E)-but-2-enyl]-2,3-dimethyl-7-(pyridin-2-ylmethylsulfanyl)pyrrolo[2,3-d]pyridazine Openeye Name: 1-[(E)-but-2-enyl]-2,3-dimethyl-7-(2-pyridylmethylsulfanyl)pyrrolo[2,3-d]pyridazine CAS Name: 1-[(E)-but-2-enyl]-2,3-dimethyl-7-(2-pyridinylmethylthio)pyrrolo[2,3-d]pyridazine IUPAC Name: 1-[(E)-but-2-enyl]-2,3-dimethyl-7-(pyridin-2-ylmethylsulfanyl)pyrrolo[2,3-d]pyridazine Traditional Name: 1-[(E)-but-2-enyl]-2,3-dimethyl-7-(2-pyridylmethylthio)pyrrolo[2,3-d]pyridazine Formula: C18H20N4S MolecularWeight: 324.4432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C(=C(C2=CN=NC(=C21)SCC3=CC=CC=N3)C)C

Isomeric SMILES

C/C=C/CN1C(=C(C2=CN=NC(=C21)SCC3=CC=CC=N3)C)C

InChI

InChI=1S/C18H20N4S/c1-4-5-10-22-14(3)13(2)16-11-20-21-18(17(16)22)23-12-15-8-6-7-9-19-15/h4-9,11H,10,12H2,1-3H3/b5-4+