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

Systemtic Name: 4-fluoranyl-3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzothiophene-2-carboxylic acid Formula: C18H12FN3O2S2 MolecularWeight: 385.435183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCC3=C(SC4=CC=CC(=C43)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC3=C(SC4=CC=CC(=C43)F)C(=O)O

InChI

InChI=1S/C18H12FN3O2S2/c19-13-7-4-8-14-15(13)12(16(26-14)17(23)24)9-25-18-20-10-22(21-18)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,23,24)