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

Systemtic Name: ethyl 3-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H20FN3O2S2 MolecularWeight: 393.498703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O2S2/c1-5-24-15(23)14-10(13-11(19)7-6-8-12(13)26-14)9-25-17-20-16(21-22-17)18(2,3)4/h6-8H,5,9H2,1-4H3,(H,20,21,22)