4-[4-cyclopropyl-5-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-cyclopropyl-5-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-cyclopropyl-5-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-cyclopropyl-5-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-cyclopropyl-5-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-cyclopropyl-5-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]pyridine Formula: C25H21FN4O2S MolecularWeight: 460.523243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5)C6=CC=NC=C6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5)C6=CC=NC=C6

InChI

InChI=1S/C25H21FN4O2S/c26-20-12-18-14-31-24(17-4-2-1-3-5-17)32-22(18)19(13-20)15-33-25-29-28-23(30(25)21-6-7-21)16-8-10-27-11-9-16/h1-5,8-13,21,24H,6-7,14-15H2