[4-(2-methyl-2-nitrososulfanyl-propyl)-2-oxidanyl-piperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-(2-methyl-2-nitrososulfanyl-propyl)-2-oxidanyl-piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [2-hydroxy-4-(2-methyl-2-nitrososulfanyl-propyl)piperazin-1-yl]-(3-pyridyl)methanone CAS Name: 1-[3-hydroxy-4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-2-methyl-N-oxo-2-propanesulfenamide IUPAC Name: [2-hydroxy-4-(2-methyl-2-nitrososulfanylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [2-hydroxy-4-[2-methyl-2-(nitrosothio)propyl]piperazino]-(3-pyridyl)methanone Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(C(C1)O)C(=O)C2=CN=CC=C2)SN=O

Isomeric SMILES

CC(C)(CN1CCN(C(C1)O)C(=O)C2=CN=CC=C2)SN=O

InChI

InChI=1S/C14H20N4O3S/c1-14(2,22-16-21)10-17-6-7-18(12(19)9-17)13(20)11-4-3-5-15-8-11/h3-5,8,12,19H,6-7,9-10H2,1-2H3