3-azanyl-2-methyl-4-oxidaniumyl-4-oxidanylidene-butane-2-thiolate

Systemtic Name: 3-azanyl-2-methyl-4-oxidaniumyl-4-oxidanylidene-butane-2-thiolate Openeye Name: 3-amino-2-methyl-4-oxo-4-oxonio-butane-2-thiolate CAS Name: 3-amino-2-methyl-4-oxo-4-oxonio-2-butanethiolate IUPAC Name: 3-amino-2-methyl-4-oxo-4-oxoniobutane-2-thiolate Traditional Name: 3-amino-4-keto-2-methyl-4-oxonio-butane-2-thiolate Formula: C5H11NO2S MolecularWeight: 149.21134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)[OH2+])N)[S-]

Isomeric SMILES

CC(C)(C(C(=O)[OH2+])N)[S-]

InChI

InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)