3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-[[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid Formula: C23H22FN3O2S3 MolecularWeight: 487.633083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=C(SC4=CC=CC(=C43)F)C(=O)O)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=C(SC4=CC=CC(=C43)F)C(=O)O)CC5=CC=CS5

InChI

InChI=1S/C23H22FN3O2S3/c24-17-9-4-10-18-20(17)16(21(32-18)22(28)29)13-31-23-26-25-19(12-15-8-5-11-30-15)27(23)14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7,12-13H2,(H,28,29)