N-tert-butyl-1-[3-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]cinnolin-6-yl]methanimine oxide

Systemtic Name: N-tert-butyl-1-[3-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]cinnolin-6-yl]methanimine oxide Openeye Name: N-tert-butyl-1-[3-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]cinnolin-6-yl]methanimine oxide CAS Name: N-tert-butyl-1-[3-[[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-oxomethyl]-6-cinnolinyl]methanimine oxide IUPAC Name: N-tert-butyl-1-[3-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]cinnolin-6-yl]methanimine oxide Traditional Name: N-tert-butyl-1-[3-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]cinnolin-6-yl]methanimine oxide Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](=CC1=CC2=CC(=NN=C2C=C1)C(=O)NC(CS)C(=O)O)[O-]

Isomeric SMILES

CC(C)(C)/[N+](=C/C1=CC2=CC(=NN=C2C=C1)C(=O)NC(CS)C(=O)O)/[O-]

InChI

InChI=1S/C17H20N4O4S/c1-17(2,3)21(25)8-10-4-5-12-11(6-10)7-13(20-19-12)15(22)18-14(9-26)16(23)24/h4-8,14,26H,9H2,1-3H3,(H,18,22)(H,23,24)/b21-8-