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

Systemtic Name: 3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C24H20FN3O3S MolecularWeight: 449.497303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C5C(=CC(=C4)F)COCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C5C(=CC(=C4)F)COCO5

InChI

InChI=1S/C24H20FN3O3S/c1-29-21-9-7-16(8-10-21)23-26-27-24(28(23)20-5-3-2-4-6-20)32-14-18-12-19(25)11-17-13-30-15-31-22(17)18/h2-12H,13-15H2,1H3