3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole Formula: C22H18FN3O3S2 MolecularWeight: 455.525023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=C4C(=CC(=C3)F)COCO4)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=C4C(=CC(=C3)F)COCO4)C5=CC=CS5

InChI

InChI=1S/C22H18FN3O3S2/c1-27-18-6-3-2-5-17(18)26-21(19-7-4-8-30-19)24-25-22(26)31-12-15-10-16(23)9-14-11-28-13-29-20(14)15/h2-10H,11-13H2,1H3