4-cyclohexyl-3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole Formula: C23H23FN4O4S MolecularWeight: 470.516523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CC=C5F

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CC=C5F

InChI

InChI=1S/C23H23FN4O4S/c24-20-9-5-4-8-19(20)22-25-26-23(27(22)17-6-2-1-3-7-17)33-13-16-11-18(28(29)30)10-15-12-31-14-32-21(15)16/h4-5,8-11,17H,1-3,6-7,12-14H2