(2S)-2-azanyl-3-methyl-3-sulfanyl-butanoic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; pyridine-4-carbohydrazide

Systemtic Name: (2S)-2-azanyl-3-methyl-3-sulfanyl-butanoic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; pyridine-4-carbohydrazide Openeye Name: (2S)-2-amino-3-methyl-3-sulfanyl-butanoic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; pyridine-4-carbohydrazide CAS Name: (2S)-2-amino-3-mercapto-3-methylbutanoic acid; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol; 4-pyridinecarbohydrazide IUPAC Name: (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol; pyridine-4-carbohydrazide Traditional Name: (2S)-2-amino-3-mercapto-3-methyl-butyric acid; isonicotinohydrazide; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Formula: C17H27N7O6S MolecularWeight: 457.50458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCO)[N+](=O)[O-].CC(C)(C(C(=O)O)N)S.C1=CN=CC=C1C(=O)NN

Isomeric SMILES

CC1=NC=C(N1CCO)[N+](=O)[O-].CC(C)([C@H](C(=O)O)N)S.C1=CN=CC=C1C(=O)NN

InChI

InChI=1S/C6H9N3O3.C6H7N3O.C5H11NO2S/c1-5-7-4-6(9(11)12)8(5)2-3-10;7-9-6(10)5-1-3-8-4-2-5;1-5(2,9)3(6)4(7)8/h4,10H,2-3H2,1H3;1-4H,7H2,(H,9,10);3,9H,6H2,1-2H3,(H,7,8)/t;;3-/m..0/s1