4-fluoranyl-3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzothiophene-2-carboxylic acid Formula: C22H19FN4O3S2 MolecularWeight: 470.539663

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC4=C(SC5=CC=CC(=C54)F)C(=O)O

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC4=C(SC5=CC=CC(=C54)F)C(=O)O

InChI

InChI=1S/C22H19FN4O3S2/c23-16-7-4-8-17-18(16)15(19(32-17)20(28)29)13-31-22-25-24-21(26-9-11-30-12-10-26)27(22)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,28,29)