[(3S)-3-cyano-4-oxidanylidene-5-pyrimidin-2-ylsulfanyl-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-3-cyano-4-oxidanylidene-5-pyrimidin-2-ylsulfanyl-pent-1-en-2-yl]azanium Openeye Name: [(2S)-2-cyano-1-methylene-3-oxo-4-pyrimidin-2-ylsulfanyl-butyl]ammonium CAS Name: [(3S)-3-cyano-4-oxo-5-(2-pyrimidinylthio)pent-1-en-2-yl]ammonium IUPAC Name: [(3S)-3-cyano-4-oxo-5-pyrimidin-2-ylsulfanylpent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-1-cyano-2-keto-3-(2-pyrimidylthio)propyl]vinylammonium Formula: C10H11N4OS+ MolecularWeight: 235.28554

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)CSC1=NC=CC=N1)[NH3+]

Isomeric SMILES

C=C([C@@H](C#N)C(=O)CSC1=NC=CC=N1)[NH3+]

InChI

InChI=1S/C10H10N4OS/c1-7(12)8(5-11)9(15)6-16-10-13-3-2-4-14-10/h2-4,8H,1,6,12H2/p+1/t8-/m1/s1