3-[(4E)-4-(aminocarbonylhydrazinylidene)-1-cyano-3-oxidanylidene-butyl]sulfanyl-2-azanyl-propanoic acid

Systemtic Name: 3-[(4E)-4-(aminocarbonylhydrazinylidene)-1-cyano-3-oxidanylidene-butyl]sulfanyl-2-azanyl-propanoic acid Openeye Name: 2-amino-3-[(4E)-4-(carbamoylhydrazono)-1-cyano-3-oxo-butyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(4E)-4-(carbamoylhydrazinylidene)-1-cyano-3-oxobutyl]thio]propanoic acid IUPAC Name: 2-amino-3-[(4E)-4-(carbamoylhydrazinylidene)-1-cyano-3-oxobutyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(4E)-1-cyano-3-keto-4-semicarbazono-butyl]thio]propionic acid Formula: C9H13N5O4S MolecularWeight: 287.29562

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C#N)SCC(C(=O)O)N)C(=O)C=NNC(=O)N

Isomeric SMILES

C(C(C#N)SCC(C(=O)O)N)C(=O)/C=N/NC(=O)N

InChI

InChI=1S/C9H13N5O4S/c10-2-6(19-4-7(11)8(16)17)1-5(15)3-13-14-9(12)18/h3,6-7H,1,4,11H2,(H,16,17)(H3,12,14,18)/b13-3+