1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(1,3-benzoxazol-2-ylthio)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(1,3-benzoxazol-2-ylthio)ethyl]triazole-4-carboxylic acid Formula: C12H10N4O3S MolecularWeight: 290.2978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCCN3C=C(N=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCCN3C=C(N=N3)C(=O)O

InChI

InChI=1S/C12H10N4O3S/c17-11(18)9-7-16(15-14-9)5-6-20-12-13-8-3-1-2-4-10(8)19-12/h1-4,7H,5-6H2,(H,17,18)