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

Systemtic Name: 3-[4-cyclopropyl-5-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]propionamide Formula: C23H23FN4O3S MolecularWeight: 454.517123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5)CCC(=O)N

InChI

InChI=1S/C23H23FN4O3S/c24-17-10-15-12-30-22(14-4-2-1-3-5-14)31-21(15)16(11-17)13-32-23-27-26-20(9-8-19(25)29)28(23)18-6-7-18/h1-5,10-11,18,22H,6-9,12-13H2,(H2,25,29)