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

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

CC(C)(C)C1=NN=C(N1C)SCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NN=C(N1C)SCCOC2=CC=CC(=C2)C(=O)O

InChI

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