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

Systemtic Name: 3-[2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 3-[2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 3-[2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 3-[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(=C2)C(=O)O)C(C)C

Isomeric SMILES

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

InChI

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