3-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid

Systemtic Name: 3-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 3-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 3-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 3-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-21-16(13-6-3-2-4-7-13)19-20-18(21)25-11-10-24-15-9-5-8-14(12-15)17(22)23/h2-9,12H,10-11H2,1H3,(H,22,23)