N-methyl-N-[2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl]-2-sulfanyl-ethanamide

Systemtic Name: N-methyl-N-[2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl]-2-sulfanyl-ethanamide Openeye Name: N-methyl-N-[2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl]-2-sulfanyl-acetamide CAS Name: 2-mercapto-N-methyl-N-[2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl]acetamide IUPAC Name: N-methyl-N-[2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl]-2-sulfanylacetamide Traditional Name: 2-mercapto-N-methyl-N-[2-[methyl-(7-nitrobenzofurazan-4-yl)amino]ethyl]acetamide Formula: C12H15N5O4S MolecularWeight: 325.3436

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN(C)C(=O)CS)C1=CC=C(C2=NON=C12)[N+](=O)[O-]

Isomeric SMILES

CN(CCN(C)C(=O)CS)C1=CC=C(C2=NON=C12)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O4S/c1-15(5-6-16(2)10(18)7-22)8-3-4-9(17(19)20)12-11(8)13-21-14-12/h3-4,22H,5-7H2,1-2H3