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

Systemtic Name: ethyl 3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C17H16FN3O2S2 MolecularWeight: 377.456243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NNC(=N3)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NNC(=N3)C4CC4

InChI

InChI=1S/C17H16FN3O2S2/c1-2-23-16(22)14-10(13-11(18)4-3-5-12(13)25-14)8-24-17-19-15(20-21-17)9-6-7-9/h3-5,9H,2,6-8H2,1H3,(H,19,20,21)