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

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

CCCCC1=NN=C(N1C)SCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCC1=NN=C(N1C)SCCOC2=CC=CC(=C2)C(=O)O

InChI

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