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

Systemtic Name: 3-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]propanoic acid IUPAC Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]propionic acid Formula: C11H11N3O3S MolecularWeight: 265.28834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O3S/c15-10(16)5-6-18-7-14-11(17)8-3-1-2-4-9(8)12-13-14/h1-4H,5-7H2,(H,15,16)