3-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-[[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid Formula: C23H22FN3O2S2 MolecularWeight: 455.568083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(SC4=CC=CC(=C43)F)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(SC4=CC=CC(=C43)F)C(=O)O

InChI

InChI=1S/C23H22FN3O2S2/c1-23(2,3)14-10-8-13(9-11-14)20-25-26-22(27(20)4)30-12-15-18-16(24)6-5-7-17(18)31-19(15)21(28)29/h5-11H,12H2,1-4H3,(H,28,29)