ethyl 4-fluoranyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C14H12FN3O2S2 MolecularWeight: 337.392383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC=NN3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC=NN3

InChI

InChI=1S/C14H12FN3O2S2/c1-2-20-13(19)12-8(6-21-14-16-7-17-18-14)11-9(15)4-3-5-10(11)22-12/h3-5,7H,2,6H2,1H3,(H,16,17,18)