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

Systemtic Name: ethyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C20H20FN3O2S2 MolecularWeight: 417.520103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(N3C4CC4)C5CC5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=C(N3C4CC4)C5CC5

InChI

InChI=1S/C20H20FN3O2S2/c1-2-26-19(25)17-13(16-14(21)4-3-5-15(16)28-17)10-27-20-23-22-18(11-6-7-11)24(20)12-8-9-12/h3-5,11-12H,2,6-10H2,1H3