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

Systemtic Name: 2-[2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 2-[2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 2-[2-[(4,5-diethyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 2-[2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 2-[2-[(4,5-diethyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCCOC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC1=NN=C(N1CC)SCCOC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H19N3O3S/c1-3-13-16-17-15(18(13)4-2)22-10-9-21-12-8-6-5-7-11(12)14(19)20/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)