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

Systemtic Name: 2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 2-[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=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2C(=O)O)C3=CC=CC=C3

InChI

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