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

Systemtic Name: ethyl 4-fluoranyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C15H14FN3O2S2 MolecularWeight: 351.418963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=CN3C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=CN3C

InChI

InChI=1S/C15H14FN3O2S2/c1-3-21-14(20)13-9(7-22-15-18-17-8-19(15)2)12-10(16)5-4-6-11(12)23-13/h4-6,8H,3,7H2,1-2H3