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

Systemtic Name: 2-[2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 2-[2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 2-[2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 2-[2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 2-[2-[(4-ethyl-5-isopropyl-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:

CCN1C(=NN=C1SCCOC2=CC=CC=C2C(=O)O)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC=C2C(=O)O)C(C)C

InChI

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