4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C13H15N3O2S/c1-3-16-9(2)14-15-13(16)19-8-10-4-6-11(7-5-10)12(17)18/h4-7H,3,8H2,1-2H3,(H,17,18)