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

Systemtic Name: ethyl 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C19H20FN3O2S2 MolecularWeight: 405.509403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(SC3=CC=CC(=C32)F)C(=O)OCC)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(SC3=CC=CC(=C32)F)C(=O)OCC)C4CC4

InChI

InChI=1S/C19H20FN3O2S2/c1-3-23-17(11-8-9-11)21-22-19(23)26-10-12-15-13(20)6-5-7-14(15)27-16(12)18(24)25-4-2/h5-7,11H,3-4,8-10H2,1-2H3