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

Systemtic Name: 3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole Formula: C20H17FN4O4S MolecularWeight: 428.436783

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4F

InChI

InChI=1S/C20H17FN4O4S/c1-2-7-24-19(16-5-3-4-6-17(16)21)22-23-20(24)30-11-14-9-15(25(26)27)8-13-10-28-12-29-18(13)14/h2-6,8-9H,1,7,10-12H2