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

Systemtic Name: 3-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[(5-o-phenetyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H17N3O3S/c1-2-24-15-9-4-3-8-14(15)16-19-18(21-20-16)25-11-12-6-5-7-13(10-12)17(22)23/h3-10H,2,11H2,1H3,(H,22,23)(H,19,20,21)