3-[(3-azanylpyridin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(3-azanylpyridin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(3-amino-4-pyridyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(3-amino-4-pyridinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(3-aminopyridin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(3-amino-4-pyridyl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=C(C=NC=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=C(C=NC=C3)N

InChI

InChI=1S/C13H11N5OS/c14-10-7-15-6-5-12(10)20-8-18-13(19)9-3-1-2-4-11(9)16-17-18/h1-7H,8,14H2