2-methyl-4-(5-nitropyridin-2-yl)sulfanyl-butan-2-ol

Systemtic Name: 2-methyl-4-(5-nitropyridin-2-yl)sulfanyl-butan-2-ol Openeye Name: 2-methyl-4-[(5-nitro-2-pyridyl)sulfanyl]butan-2-ol CAS Name: 2-methyl-4-[(5-nitro-2-pyridinyl)thio]-2-butanol IUPAC Name: 2-methyl-4-(5-nitropyridin-2-yl)sulfanylbutan-2-ol Traditional Name: 2-methyl-4-[(5-nitro-2-pyridyl)thio]butan-2-ol Formula: C10H14N2O3S MolecularWeight: 242.29476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(CCSC1=NC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C10H14N2O3S/c1-10(2,13)5-6-16-9-4-3-8(7-11-9)12(14)15/h3-4,7,13H,5-6H2,1-2H3