3-[(4E)-4-(aminocarbonylhydrazinylidene)-1-cyano-3-oxidanylidene-butyl]sulfanylpropanoic acid

Systemtic Name: 3-[(4E)-4-(aminocarbonylhydrazinylidene)-1-cyano-3-oxidanylidene-butyl]sulfanylpropanoic acid Openeye Name: 3-[(4E)-4-(carbamoylhydrazono)-1-cyano-3-oxo-butyl]sulfanylpropanoic acid CAS Name: 3-[[(4E)-4-(carbamoylhydrazinylidene)-1-cyano-3-oxobutyl]thio]propanoic acid IUPAC Name: 3-[(4E)-4-(carbamoylhydrazinylidene)-1-cyano-3-oxobutyl]sulfanylpropanoic acid Traditional Name: 3-[[(4E)-1-cyano-3-keto-4-semicarbazono-butyl]thio]propionic acid Formula: C9H12N4O4S MolecularWeight: 272.28098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CSC(CC(=O)C=NNC(=O)N)C#N)C(=O)O

Isomeric SMILES

C(CSC(CC(=O)/C=N/NC(=O)N)C#N)C(=O)O

InChI

InChI=1S/C9H12N4O4S/c10-4-7(18-2-1-8(15)16)3-6(14)5-12-13-9(11)17/h5,7H,1-3H2,(H,15,16)(H3,11,13,17)/b12-5+