2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]acetic acid CAS Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]acetic acid IUPAC Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]acetic acid Formula: C10H9N3O3S MolecularWeight: 251.26176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSCC(=O)O

InChI

InChI=1S/C10H9N3O3S/c14-9(15)5-17-6-13-10(16)7-3-1-2-4-8(7)11-12-13/h1-4H,5-6H2,(H,14,15)