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

Systemtic Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzothiophene-2-carboxylic acid CAS Name: 3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzothiophene-2-carboxylic acid Formula: C13H11N3O2S2 MolecularWeight: 305.37534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=C(SC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1C=NN=C1SCC2=C(SC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C13H11N3O2S2/c1-16-7-14-15-13(16)19-6-9-8-4-2-3-5-10(8)20-11(9)12(17)18/h2-5,7H,6H2,1H3,(H,17,18)