2-[[4-(oxan-4-yl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(oxan-4-yl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-tetrahydropyran-4-yl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-oxanyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(oxan-4-yl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-tetrahydropyran-4-yl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C(=NN=C2SCC(=O)O)C3=CC=CS3

Isomeric SMILES

C1COCCC1N2C(=NN=C2SCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C13H15N3O3S2/c17-11(18)8-21-13-15-14-12(10-2-1-7-20-10)16(13)9-3-5-19-6-4-9/h1-2,7,9H,3-6,8H2,(H,17,18)