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

Systemtic Name: 3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NN=C(N1C)SCCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H15N3O3S/c1-9-14-15-13(16(9)2)20-7-6-19-11-5-3-4-10(8-11)12(17)18/h3-5,8H,6-7H2,1-2H3,(H,17,18)