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

Systemtic Name: 2-azanyl-3-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]propionic acid Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O3S/c12-8(11(17)18)5-19-6-15-10(16)7-3-1-2-4-9(7)13-14-15/h1-4,8H,5-6,12H2,(H,17,18)