2-(3-methyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(3-methyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[3-methyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-(3-methyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(3-methyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[3-methyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

CC1=NN=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C17H16N4O2S/c1-10-19-20-15(11-6-8-18-9-7-11)21(10)16-14(17(22)23)12-4-2-3-5-13(12)24-16/h6-9H,2-5H2,1H3,(H,22,23)