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

Systemtic Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-2-21-16(14-8-4-3-5-9-14)19-20-18(21)24-12-13-7-6-10-15(11-13)17(22)23/h3-11H,2,12H2,1H3,(H,22,23)