ethyl 4-fluoranyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H16FN3O2S2 MolecularWeight: 413.488343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H16FN3O2S2/c1-2-26-19(25)17-13(16-14(21)9-6-10-15(16)28-17)11-27-20-22-18(23-24-20)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,22,23,24)