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

Systemtic Name: ethyl 4-fluoranyl-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H16FN3O2S2 MolecularWeight: 413.488343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C20H16FN3O2S2/c1-2-26-19(25)18-14(17-15(21)9-6-10-16(17)28-18)11-27-20-23-22-12-24(20)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3