4-[2-[(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid Formula: C17H23N3O3S MolecularWeight: 349.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)C(=O)O)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C17H23N3O3S/c1-5-20-15(17(2,3)4)18-19-16(20)24-11-10-23-13-8-6-12(7-9-13)14(21)22/h6-9H,5,10-11H2,1-4H3,(H,21,22)