3-(4-imidazol-1-ylphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine

Systemtic Name: 3-(4-imidazol-1-ylphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine Openeye Name: 3-(4-imidazol-1-ylphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine CAS Name: 3-[4-(1-imidazolyl)phenyl]-6-[(4-nitrophenyl)methylthio]pyridazine IUPAC Name: 3-(4-imidazol-1-ylphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine Traditional Name: 3-(4-imidazol-1-ylphenyl)-6-[(4-nitrobenzyl)thio]pyridazine Formula: C20H15N5O2S MolecularWeight: 389.4304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O2S/c26-25(27)18-5-1-15(2-6-18)13-28-20-10-9-19(22-23-20)16-3-7-17(8-4-16)24-12-11-21-14-24/h1-12,14H,13H2