3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-[[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid Formula: C18H18FN3O2S2 MolecularWeight: 391.482823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SCC3=C(SC4=CC=CC(=C43)F)C(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SCC3=C(SC4=CC=CC(=C43)F)C(=O)O

InChI

InChI=1S/C18H18FN3O2S2/c1-9(2)16-20-21-18(22(16)10-6-7-10)25-8-11-14-12(19)4-3-5-13(14)26-15(11)17(23)24/h3-5,9-10H,6-8H2,1-2H3,(H,23,24)