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

Systemtic Name: 2-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 2-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 2-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 2-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 2-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C14H17N3O3S/c1-3-17-10(2)15-16-14(17)21-9-8-20-12-7-5-4-6-11(12)13(18)19/h4-7H,3,8-9H2,1-2H3,(H,18,19)