1-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-thienyl)tetrazol-5-one Formula: C20H15FN4O3S MolecularWeight: 410.421503

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CN4C(=O)N(N=N4)C5=CC=CS5)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CN4C(=O)N(N=N4)C5=CC=CS5)F

InChI

InChI=1S/C20H15FN4O3S/c21-16-9-14(11-24-20(26)25(23-22-24)17-7-4-8-29-17)18-15(10-16)12-27-19(28-18)13-5-2-1-3-6-13/h1-10,19H,11-12H2