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

Systemtic Name: 2-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 2-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 2-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 2-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 2-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCCOC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCC1=NN=C(N1CC)SCCOC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H21N3O3S/c1-3-7-14-17-18-16(19(14)4-2)23-11-10-22-13-9-6-5-8-12(13)15(20)21/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,20,21)