4-fluoranyl-3-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: 4-fluoranyl-3-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: 4-fluoro-3-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]methyl]-1-benzothiophene-2-carboxylate IUPAC Name: 4-fluoro-3-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[[1-(4-hydroxyphenyl)tetrazol-5-yl]thio]methyl]benzothiophene-2-carboxylate Formula: C17H10FN4O3S2- MolecularWeight: 401.414703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=C2CSC3=NN=NN3C4=CC=C(C=C4)O)C(=O)[O-])F

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=C2CSC3=NN=NN3C4=CC=C(C=C4)O)C(=O)[O-])F

InChI

InChI=1S/C17H11FN4O3S2/c18-12-2-1-3-13-14(12)11(15(27-13)16(24)25)8-26-17-19-20-21-22(17)9-4-6-10(23)7-5-9/h1-7,23H,8H2,(H,24,25)/p-1