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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC)SCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCC1=NN=C(N1CC)SCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H23N3O3S/c1-3-5-6-15-18-19-17(20(15)4-2)24-12-11-23-14-9-7-13(8-10-14)16(21)22/h7-10H,3-6,11-12H2,1-2H3,(H,21,22)